SCHEMBL18985282

SCHEMBL18985282

COCOC(C(=O)O)C(=O)O

nearest known ligand 0.36

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
FNTA P49354 1/20 0.36
FNTB P49356 1/20 0.36
DDAH1 O94760 2/20 0.32
SLC1A3 P43003 1/20 0.31
SLC1A2 P43004 1/20 0.31
SLC1A1 P43005 1/20 0.31
TP53 P04637 1/20 0.30
TGFBR1 P36897 1/20 0.30
ALDH1A1 P00352 1/20 0.30

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL4466339 0.77
SCHEMBL3816517 0.77
SCHEMBL4466346 0.77
SCHEMBL6208557 0.72 THRB (0.40) FNTAFNTBTP53ALDH1A1
SCHEMBL9183627 0.72 TDP1 (0.37) ALDH1A1
SCHEMBL27746293 0.72
SCHEMBL9183621 0.72 TDP1 (0.37) ALDH1A1
SCHEMBL9184977 0.72 TDP1 (0.37) ALDH1A1
Lactic Acid SCHEMBL29674668 0.70 TP53 (0.61) TP53
SCHEMBL9234611 0.70 SMN1; SMN2 (0.38) TP53ALDH1A1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3391260-B1 A NATURAL PRODUCT AND GENETIC DATA ANALYSIS AND DISCOVERY SYSTEM, METHOD AND COMPUTATIONAL PLATFORM THEREFOR ADAPSYN BIOSCIENCE INC (CA) 2023-08-23 EP disclosed
US-20180373833-A1 A NATURAL PRODUCT AND GENETIC DATA ANALYSIS AND DISCOVERY SYSTEM, METHOD AND COMPUTATIONAL PLATFORM THEREFOR MCMASTER UNIVERSITY (CA) 2018-12-27 US disclosed
EP-3391260-A1 A NATURAL PRODUCT AND GENETIC DATA ANALYSIS AND DISCOVERY SYSTEM, METHOD AND COMPUTATIONAL PLATFORM THEREFOR McMASTER UNIVERSITY (CA) 2018-10-24 EP disclosed
WO-2017100917-A1 A NATURAL PRODUCT AND GENETIC DATA ANALYSIS AND DISCOVERY SYSTEM, METHOD AND COMPUTATIONAL PLATFORM THEREFOR MCMASTER UNIVERSITY (CA) 2017-06-22 WO disclosed