SCHEMBL5693333

SCHEMBL5693333

CC(=O)OC(CC(=O)O)(C(=O)O)C(C(C)=O)(C(C)=O)C(=O)O

nearest known ligand 0.36

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.36
CYP2D6 P10635 1/20 0.35
TSHR P16473 1/20 0.35
CYP2C19 P33261 1/20 0.35
HIF1A Q16665 1/20 0.35
ALDH1A1 P00352 1/20 0.32
HMGCR P04035 1/20 0.32
CHRM1 P11229 1/20 0.32
TBXA2R P21731 1/20 0.32
ADRA1A P35348 1/20 0.32

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
SCHEMBL4632647 0.86 GAA (0.32) GAACYP2D6TSHRCYP2C19HIF1A
SCHEMBL27875239 0.83 GAA (0.31) GAA
SCHEMBL1269117 0.74 GAA (0.34) GAACYP2D6TSHRCYP2C19HIF1A
SCHEMBL1919940 0.70 ALDH1A1 (0.36) GAACYP2D6TSHRCYP2C19HIF1A
SCHEMBL284431 0.69 CYP2C19 (0.42) GAACYP2D6TSHRCYP2C19HIF1A
SCHEMBL1267663 0.68 CYP2D6 (0.31) CYP2D6TSHRCYP2C19HIF1A
SCHEMBL27944153 0.68 HMGCR (0.42) GAACYP2D6TSHRCYP2C19HIF1A
SCHEMBL11523073 0.68 GAA (0.46) GAACYP2D6TSHRCYP2C19HIF1A
Acetic Acid SCHEMBL15573268 0.67 CYP2C19 (0.41) GAACYP2D6TSHRCYP2C19HIF1A
SCHEMBL597227 0.67 CYP2C19 (0.41) GAACYP2D6TSHRCYP2C19HIF1A

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 34 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-120040927-A Food packaging bag and preparation method thereof 秭归新派包装科技有限公司 2025-05-27 CN claimed
EP-1250914-B2 Cooling compositions PROCTER & GAMBLE (US) 2015-11-25 EP claimed
EP-1250914-B1 Cooling compositions PROCTER & GAMBLE (US) 2006-05-31 EP claimed
EP-0633896-B1 ESTERIFIED STARCH COMPOSITION NAT STARCH CHEM INVEST (US) 1998-06-17 EP claimed
CN-120040927-A Food packaging bag and preparation method thereof 秭归新派包装科技有限公司 2025-05-27 CN disclosed
EP-3638675-B1 DIAZABICYCLIC SUBSTITUTED IMIDAZOPYRIMIDINES AND THEIR USE FOR THE TREATMENT OF BREATHING DISORDERS BAYER AG (DE) 2024-04-17 EP disclosed
EP-3455224-B1 SUBSTITUTED 5,6,7,8-TETRAHYDRO[1,2,4]TRIAZOLO[4,3-A]PYRIDINE-3(2H)-ONES AND 2,5,6,7-TETRAHYDRO-3H-PYRROLO[2,1-C][1,2,4]TRIAZOL-3-ONES, AND USE THEREOF BAYER AG (DE) 2024-03-27 EP disclosed
CN-115583959-A Diazabicyclo-substituted imidazopyrimidines and their use for the treatment of respiratory disorders 拜耳股份公司 2023-01-10 CN disclosed
CN-115554300-A Diazabicyclo-substituted imidazopyrimidines and their use for the treatment of respiratory disorders 拜耳股份公司 2023-01-03 CN disclosed
CN-115554299-A Diazabicyclo-substituted imidazopyrimidines and their use for the treatment of respiratory disorders 拜耳股份公司 2023-01-03 CN disclosed
CN-110719911-B Diazabicyclo-substituted imidazopyrimidines and their use for the treatment of respiratory disorders 拜耳股份公司 2022-10-21 CN disclosed
EP-3432934-B1 PRODRUGS OF CYTOTOXIC AGENTS WITH ENZYMATICALLY CLEAVABLE GROUPS Bayer Pharma AG (DE) 2022-02-23 EP disclosed
WO-2018114798-A1 PRODRUGS OF CYTOTOXIC ACTIVE AGENTS HAVING ENZYMATICALLY CLEAVABLE GROUPS BAYER AKTIENGESELLSCHAFT (DE) 2018-06-28 WO disclosed
WO-2017194459-A1 SUBSTITUTED 5,6,7,8-TETRAHYDRO[1,2,4]TRIAZOLO[4,3-A]PYRIDINE-3(2H)-ONES AND 2,5,6,7-TETRAHYDRO-3H-PYRROLO[2,1-C][1,2,4]TRIAZOL-3-ONES, AND USE THEREOF BAYER AKTIENGESELLSCHAFT (DE) 2017-11-16 WO disclosed
WO-2017162663-A1 PRODRUGS OF CYTOTOXIC ACTIVE AGENTS HAVING ENZYMATICALLY CLEAVABLE GROUPS BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2017-09-28 WO disclosed
CN-102952094-A Method of preparing 1,2-benzisothiazole-3-ketone compound SUMITOMO ESSENCE KK 2013-03-06 CN disclosed
CN-1307876-C Microbicide composition ROHM & HAAS (US) 2007-04-04 CN disclosed
CN-1531848-A Microbicide composition 罗姆和哈斯公司 2004-09-29 CN disclosed
EP-1392910-A2 IRONING WATER Henkel Kommanditgesellschaft auf Aktien (DE) 2004-03-03 EP disclosed
WO-2002099179-A2 IRONING WATER HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 2002-12-12 WO disclosed