NPASS Compound

Natural Product: NPC486545

Natural Product ID	NPC486545
Common Name ? The InCHIKey will be temporarily assigned as the "Common Name" if no IUPAC name or alternative short name is available.	JVEJEOJOFBJWSQ-VFGFNLGMSA-N
IUPAC Name	n.a.
Synonyms
Synthetic Gene Cluster	n.a.
ChEMBL Identifier	n.a.
PubChem CID	n.a.
Chemical Classification	CHEMONTID:0000000 [Organic compounds]

The Chemical Classification was calculated by Classyfire, a software for chemical taxonomy calculation. Reference: DOI:10.1186/s13321-016-0174-y.

Chemical Representations

RDKit 3D 70 73 0 0 0 0 0 0 0 0999 V2000 6.7710 -1.1529 -3.3913 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8518 -2.1546 -3.2149 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7238 -2.2823 -2.4996 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1469 -1.3409 -1.6722 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9903 -1.5233 -0.9640 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3424 -2.7496 -1.0800 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8865 -3.7048 -1.8928 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0451 -3.5082 -2.5974 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5100 -4.5425 -3.3895 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3693 -0.4760 -0.0917 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4401 0.3430 -0.9708 C 0 0 1 0 0 0 0 0 0 0 0 0 0.7154 1.4257 -0.2763 C 0 0 1 0 0 0 0 0 0 0 0 0 1.3219 2.7064 -0.7785 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4439 2.3024 -1.5732 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2047 1.0311 -2.0425 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5844 0.5848 -3.1772 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7865 1.4194 -0.4912 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.2752 2.6322 0.2704 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8505 3.7003 -0.3920 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3035 4.8124 0.2918 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1627 4.8150 1.6545 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5979 3.7791 2.3626 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1531 2.6714 1.6186 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4867 3.8485 3.7273 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9481 2.9067 4.5928 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6066 5.9266 2.4060 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3002 0.3437 0.2494 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2040 -0.4486 -0.4740 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.7190 -1.8445 -0.6620 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.7845 -2.8384 -0.3818 C 0 0 2 0 0 0 0 0 0 0 0 0 -3.4622 -2.6395 0.9522 C 0 0 1 0 0 0 0 0 0 0 0 0 -3.7027 -1.1715 1.2025 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.9758 -0.7216 2.4388 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2653 0.5589 2.8443 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.4046 -0.3902 0.1470 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.6369 -3.3748 1.0019 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2520 -4.1237 -0.5133 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2860 -2.0637 -2.0080 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3559 -0.3723 -4.0825 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7216 -1.4873 -3.8667 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9906 -0.6101 -2.4413 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6652 -0.3744 -1.5806 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4324 -2.9083 -0.5191 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3496 -4.6661 -1.9660 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9052 -4.8916 -4.1271 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1312 0.1440 0.3820 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7273 -0.9310 0.6741 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6866 -0.3323 -1.4303 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8469 1.3767 0.8480 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6302 3.3337 0.0781 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6311 3.2283 -1.4740 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1065 1.4568 -1.5239 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9478 3.6728 -1.4506 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7492 5.6463 -0.2138 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7055 1.8458 2.1316 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6789 2.2015 5.0082 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3741 3.4414 5.3832 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1917 2.2942 4.0315 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5066 6.3059 2.0916 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2283 0.0277 -1.4966 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8310 -2.0466 0.0218 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5474 -2.7321 -1.1897 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7828 -3.0139 1.7318 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7912 -1.0541 1.4145 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8593 -0.7569 2.2830 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1835 -1.4309 3.2776 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0792 0.6688 3.8075 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6747 -4.0200 1.7549 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9157 -4.7475 -0.9100 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1044 -2.0246 -2.5531 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 2 0 4 5 1 0 5 6 2 0 6 7 1 0 7 8 2 0 8 9 1 0 5 10 1 0 10 11 1 0 11 12 1 0 12 13 1 0 13 14 1 0 14 15 1 0 15 16 2 0 12 17 1 0 17 18 1 0 18 19 2 0 19 20 1 0 20 21 2 0 21 22 1 0 22 23 2 0 22 24 1 0 24 25 1 0 21 26 1 0 17 27 1 0 27 28 1 0 28 29 1 0 29 30 1 0 30 31 1 0 31 32 1 0 32 33 1 0 33 34 1 0 32 35 1 0 31 36 1 0 30 37 1 0 29 38 1 0 8 3 1 0 15 11 1 0 23 18 1 0 35 28 1 0 1 39 1 0 1 40 1 0 1 41 1 0 4 42 1 0 6 43 1 0 7 44 1 0 9 45 1 0 10 46 1 0 10 47 1 0 11 48 1 6 12 49 1 1 13 50 1 0 13 51 1 0 17 52 1 6 19 53 1 0 20 54 1 0 23 55 1 0 25 56 1 0 25 57 1 0 25 58 1 0 26 59 1 0 28 60 1 6 29 61 1 1 30 62 1 6 31 63 1 1 32 64 1 1 33 65 1 0 33 66 1 0 34 67 1 0 36 68 1 0 37 69 1 0 38 70 1 0 M END

Standard InCHIKey	JVEJEOJOFBJWSQ-VFGFNLGMSA-N
Standard InCHI	InChI=1S/C26H32O12/c1-34-18-8-12(3-5-16(18)28)7-14-15(11-36-25(14)33)24(13-4-6-17(29)19(9-13)35-2)38-26-23(32)22(31)21(30)20(10-27)37-26/h3-6,8-9,14-15,20-24,26-32H,7,10-11H2,1-2H3/t14-,15+,20+,21+,22-,23+,24-,26-/m0/s1
SMILES	COc1cc(ccc1O)C[C@H]1[C@@H](COC1=O)[C@H](c1ccc(c(c1)OC)O)O[C@H]1[C@@H]([C@H]([C@@H]([C@@H](CO)O1)O)O)O

Calculated Properties

Physi-Chem Properties

Molecular Weight:	536.19	Volume:	511.054 ? Van der Waals volume.
Dense:	1.049	LogP:	-0.791 ? The logarithm of the n-octanol/water distribution coefficients.
logD7.4:	-0.243 ? The logarithm of the n-octanol/water distribution coefficient at pH=7.4.	LogS:	-1.748 ? The logarithm of aqueous solubility value.
Rotatable Bonds:	9.0	Rigid Bonds:	24.0
TPSA:	184.6 ? Topological Polar Surface Area.	H-Bond Acceptor:	12.0
H-Bond Donor:	6.0	Rings:	4.0
Heavy Atoms:	12.0

MedChem Properties

QED Drug-Likeness Score:	0.236	GASA:	1.0 ? GASA represents the probability of being difficult to synthesize, ranging from 0 to 1.
Synthetic Accessibility Score:	4.504	Fsp³:	0.5
MCE-18:	92.077 ? MCE-18 stands for medicinal chemistry evolution.MCE-18≥45 is considered a suitable value.	Lipinski Rule-of-5:	Accepted
Pfizer Rule:	Rejected	GSK Rule:	Accepted
Golden Triangle Rule:	Accepted	BMS Rule:	0
Chelating Alert:	1	PAINS Alert:	0
Colloidal aggregators:	0.562	Fluc inhibitor:	0.253 ? The fluc inhibitor value is the probability of being fLuc inhibitors, within the range of 0 to 1.
Blue fluorescence:	0.02 ? The blue fluorescence value is the probability of being blue fluorescence, within the range of 0 to 1	Green fluorescence:	0.455 ? The green fluorescence value is the probability of being green fluorescence, within the range of 0 to 1
Reactive compounds:	0.092	Promiscuous compounds:	0.13

ADMET Properties (ADMETlab3.0)

ADMET: Absorption

Caco-2 Permeability:	-6.106	MDCK Permeability:	-5.303
Pgp-inhibitor:	0.002	Pgp-substrate:	0.439
PAMPA:	0.315 ? The experimental data for Peff was logarithmically transformed (logPeff). Molecules with log Peff values below 2.0 were classified as low-permeability (Category 0), while those with log Peff values exceeding 2.5 were classified as high-permeability (Category 1).	Human Intestinal Absorption (HIA):	0.004
20% Bioavailability (F20%):	0.202	30% Bioavailability (F30%):	0.849
50% Bioavailability (F50%):	0.984

ADMET: Distribution

Blood-Brain-Barrier Penetration (BBB):	0.0	MRP1:	0.255
Plasma Protein Binding (PPB):	64.876%	Volume Distribution (VD):	-0.474
Fu:	33.553% ? The fraction unbound in plasms.	OATP1B1 inhibitor:	1.0
OATP1B3 inhibitor:	1.0	BCRP inhibitor:	0.012
BSEP inhibitor:	0.121

ADMET: Metabolism

CYP1A2-inhibitor:	0.0	CYP1A2-substrate:	0.0
CYP2C19-inhibitor:	0.575	CYP2C19-substrate:	0.05
CYP2C9-inhibitor:	0.0	CYP2C9-substrate:	0.0
CYP2D6-inhibitor:	0.0	CYP2D6-substrate:	0.393
CYP3A4-inhibitor:	0.525	CYP3A4-substrate:	0.217
CYP2B6-substrate:	0.0	CYP2C8-inhibitor:	1.0
HLM stability:	0.081 ? Human liver microsomal (HLM) stability. Category 0: stable+ (HLM > 30 min); Category 1: unstable- (HLM ≤ 30 min). The output value is the probability of human liver microsomal instability, where a value closer to 1 indicates a higher likelihood of instability.

ADMET: Excretion

Clearance (CL):

2.904

Half-life (T1/2):

3.42

ADMET: Toxicity

hERG Blockers:	0.033	hERG Blockers (10um):	0.24
Human Hepatotoxicity (H-HT):	0.642	Drug-induced Liver Injury (DILI):	0.612
AMES Toxicity:	0.83	Rat Oral Acute Toxicity:	0.057
Maximum Recommended Daily Dose:	0.118	Skin Sensitization:	0.998
Carcinogencity:	0.187	Eye Corrosion:	0.0
Eye Irritation:	0.071	Respiratory Toxicity:	0.062
Drug-induced Neurotoxicity:	0.107	Ototoxicity:	0.976
Hematotoxicity:	0.522	Drug-induced Nephrotoxicity:	0.934
Genotoxicity:	0.613	RPMI-8226 Immunitoxicity:	0.219
A549 Cytotoxicity:	0.493	Hek293 Cytotoxicity:	0.42
BCF:	0.506 ? Bioconcentration factors are used for considering secondary poisoning potential and assessing risks to human health via the food chain. The unit is -log10[(mg/L)/(1000*MW)].	IGC50:	3.1 ? 48 hour Tetrahymena pyriformis IGC50. The unit of IGC50 is -log10[(mg/L)/(1000*MW)].
LC50DM:	4.641 ? 48 hour Daphnia magna LC50. The unit of LC50DM is -log10[(mg/L)/(1000*MW)].	LC50FM:	3.734 ? 96 hour fathead minnow LC50. The unit of LC50FM is -log10[(mg/L)/(1000*MW)].

Species Source

Organism ID	Organism Name	Taxonomy Level	Family	SuperKingdom	Isolation Part	Collection Location	Collection Time	Reference
NPO6409	Eutrema japonicum	Species	Brassicaceae	Eukaryota	n.a.	n.a.	n.a.	PMID[10571166]
NPO6409	Eutrema japonicum	Species	Brassicaceae	Eukaryota	n.a.	n.a.	n.a.	PMID[27700070]
NPO6409	Eutrema japonicum	Species	Brassicaceae	Eukaryota	Roots	n.a.	n.a.	PMID[30232882]
NPO6409	Eutrema japonicum	Species	Brassicaceae	Eukaryota	n.a.	n.a.	n.a.	Database[COCONUT]
NPO6409	Eutrema japonicum	Species	Brassicaceae	Eukaryota		n.a.	n.a.	Database[FooDB]
NPO6409	Eutrema japonicum	Species	Brassicaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]

Note for Reference:
In addition to directly collecting NP source organism data from primary literature (where reference will provided as NCBI PMID or DOI links), NPASS also integrated them from below databases:
☉ UNPD: Universal Natural Products Database [PMID: 23638153].
☉ StreptomeDB: a database of streptomycetes natural products [PMID: 33051671].
☉ TM-MC: a database of medicinal materials and chemical compounds in Northeast Asian traditional medicine [PMID: 26156871].
☉ TCM@Taiwan: a Traditional Chinese Medicine database [PMID: 21253603].
☉ TCMID: a Traditional Chinese Medicine database [PMID: 29106634].
☉ TCMSP: The traditional Chinese medicine systems pharmacology database and analysis platform [PMID: 24735618].
☉ HerDing: a herb recommendation system to treat diseases using genes and chemicals [PMID: 26980517].
☉ MetaboLights: a metabolomics database [PMID: 27010336].
☉ FooDB: a database of constituents, chemistry and biology of food species [www.foodb.ca].

NP Quantity Composition/Concentration

Organism ID	Organism Name	Organism Material Preparation	Organism Part	NP Quantity (Standard)	NP Quantity (Minimum)	NP Quantity (Maximum)	Quantity Unit	Reference

Note for Reference:
In addition to directly collecting NP quantitative data from primary literature (where reference will provided as NCBI PMID or DOI links), NPASS also integrated NP quantitative records for specific NP domains (e.g., NPS from foods or herbs) from domain-specific databases. These databases include:
☉ DUKE: Dr. Duke's Phytochemical and Ethnobotanical Databases.
☉ PHENOL EXPLORER: is the first comprehensive database on polyphenol content in foods [PMID: 24103452], its homepage can be accessed at here.
☉ FooDB: a database of constituents, chemistry and biology of food species [www.foodb.ca].

Biological Activity

Activity Type	# Activity
Activity	2
IC50	5

Activity Type	# Activity
Cell line	7

Molecular-level activity

Target ID	Target Type	Target Name	Target Organism	Activity Type	Activity Relation	Value	Unit	Reference

In vitro activity

Target ID	Target Type	Target Name	Target Organism	Activity Type	Activity Relation	Value	Unit	Reference
NPT76	Cell line	C6	Rattus norvegicus	Activity	=	150.7	%	PMID[27700070]
NPT76	Cell line	C6	Rattus norvegicus	Activity	=	100.4	%	PMID[27700070]
NPT34	Cell line	BV-2	Mus musculus	IC50	>	50000.0	nM	PMID[27700070]
NPT457	Cell line	BT-549	Homo sapiens	IC50	>	10000.0	nM	PMID[27700070]
NPT81	Cell line	A549	Homo sapiens	IC50	>	10000.0	nM	PMID[27700070]
NPT146	Cell line	SK-OV-3	Homo sapiens	IC50	>	10000.0	nM	PMID[27700070]
NPT147	Cell line	SK-MEL-2	Homo sapiens	IC50	>	10000.0	nM	PMID[27700070]

In vivo activity

Target ID	Target Type	Target Name	Target Organism	Activity Type	Activity Relation	Value	Unit	Reference

Experimental ADME

Experiment Model	Experiment Tissue	ADME Type	ADME Relation	ADME Value	ADME Unit	Reference

Experimental Toxicity

Quantitative toxicity

Experiment Model	Experiment Organism	Toxicity Type	Toxicity Relation	Toxicity Value	Toxicity Unit	Reference

Common Abbreviations:
LC: Lethal Concentration; LD: Lethal Dose; LT:Lethal Time; NOAEL: No-observed-adverse-effect Level; BMDL: Benchmark Dose Lower Confidence Limit; BMD: Benchmark Dose; BMC:Benchmark Concentration; LOAEL: Lowest Observed Adverse Effect Level; RfD:Reference Dose; RfC:Reference Concentration; MRL: Minimal Risk Level; MEG: Maximum Exposure Guideline; PAC: Protective Action Criteria

Categorical toxicity labels

Hepatotoxicity	Carcinogenicity	Mutagenicity	Cardiotoxicity	Respiratory Toxicity	Eye Irritation	Endocrine Disruption

Note for Reference:
In addition to directly collecting NP quantitative data from primary literature (where reference will provided as NCBI PMID or DOI links), NPASS also integrated NP toxicity records from domain-specific databases. These databases include:
☉ ToxValDB: a curated database that compiles quantitative toxicity values for chemicals from diverse public sources to support toxicological research and risk assessment.
☉ TOXRIC: a comprehensive, free-to-access, online database providing toxicological/feature data. The toxicity labels are retrieved from this database. [PMID: 36400569]

Chemically structural similarity

Similar Active Natural Products in NPASS

Top-200 similar NPs were calculated against the active-NP-set (includes approximately 50,000 NPs with experimentally-derived bioactivity available in NPASS)

Similarity is measured using the Tanimoto coefficient (Tc) , which compares the binary fingerprints of two molecules. Tc is calculated as the intersection divided by the union of '1' bits in the fingerprints, ranging from 0 to 1, with 1 indicating highest similarity.

● The left chart: Distribution of similarity level between NPC486545 and all remaining natural products in the NPASS database.
● The right table: Most similar natural products (Tc>=0.5 or Top200).

range	Tanimoto Coefficient
0-0.1	12836
0.1-0.2	30812
0.2-0.3	5030
0.3-0.4	983
0.4-0.5	163
0.5-0.6	27
0.6-0.7	5
0.7-0.8	0
0.8-0.85	0
0.85-0.9	0
0.9-0.95	0
0.95-1	0

Similarity Score	Similarity Level	Natural Product ID
0.6575	Remote Similarity	NPC278961
0.6575	Remote Similarity	NPC113680
0.619	Remote Similarity	NPC299706
0.619	Remote Similarity	NPC115466
0.619	Remote Similarity	NPC61604
0.5977	Remote Similarity	NPC486549
0.5977	Remote Similarity	NPC486547
0.5909	Remote Similarity	NPC486546
0.5904	Remote Similarity	NPC38699
0.5904	Remote Similarity	NPC472711
0.5618	Remote Similarity	NPC486548
0.5506	Remote Similarity	NPC185307
0.5506	Remote Similarity	NPC470950
0.5476	Remote Similarity	NPC38041
0.5476	Remote Similarity	NPC22150
0.5412	Remote Similarity	NPC84181
0.5395	Remote Similarity	NPC610652
0.5357	Remote Similarity	NPC51328
0.5357	Remote Similarity	NPC55158
0.5333	Remote Similarity	NPC163635
0.5333	Remote Similarity	NPC478055
0.5301	Remote Similarity	NPC606627
0.5294	Remote Similarity	NPC483499
0.5281	Remote Similarity	NPC245615
0.5275	Remote Similarity	NPC129417
0.5275	Remote Similarity	NPC470235
0.5256	Remote Similarity	NPC67247
0.5205	Remote Similarity	NPC68779
0.5205	Remote Similarity	NPC108598
0.5109	Remote Similarity	NPC283995
0.5059	Remote Similarity	NPC158635
0.5059	Remote Similarity	NPC229882

Similar Clinical/Approved Drugs

Similarity level is defined by Tanimoto coefficient (Tc) between two molecules.

● The left chart: Distribution of similarity level between NPC486545 and all drugs/candidates.
● The right table: Most similar clinical/approved drugs (Tc>=0.5 or Top200).

range	Tanimoto Coefficient
0-0.1	3508
0.1-0.2	5443
0.2-0.3	188
0.3-0.4	11
0.4-0.5	0
0.5-0.6	0
0.6-0.7	0
0.7-0.8	0
0.8-0.85	0
0.85-0.9	0
0.9-0.95	0
0.95-1	0

Similarity Score	Similarity Level	Drug ID	Developmental Stage
		NPD

Bioactivity similarity

Similar Natural Products in NPASS

Similarity level is defined by Bioactivity similarity was calculated based on bioactivity descriptors of compounds. The bioactivity descriptors were calculated by a recently developed AI algorithm Chemical Checker (CC) [Nature Biotechnology, 38:1087–1096, 2020; Nature Communications, 12:3932, 2021], which evaluated bioactivity similarities at five levels:
☉ A: chemistry similarity;
☉ B: biological targets similarity;
☉ C: networks similarity;
☉ D: cell-based bioactivity similarity;
☉ E: similarity based on clinical data.
Those 5 categories of CC bioactivity descriptors were calculated and then subjected to manifold projection using UMAP algorithm, to project all NPs on a 2-Dimensional space. The current NP was highlighted with a small circle in the 2-D map. Below figures: left-to-right, A-to-E.

A: chemistry similarity

B: biological targets similarity

C: networks similarity

D: cell-based bioactivity similarity

E: similarity based on clinical data