SCHEMBL6058614

SCHEMBL6058614

CCC(OC)(C(=O)O)C(C)(O)C(=O)O

nearest known ligand 0.36

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.36
ALDH1A1 P00352 2/20 0.36
TDP1 Q9NUW8 1/20 0.33
HMGCR P04035 1/20 0.31
CHRM1 P11229 1/20 0.31
TBXA2R P21731 1/20 0.31
ADRA1A P35348 1/20 0.31
CYP2D6 P10635 1/20 0.30
CYP2C19 P33261 1/20 0.30
HIF1A Q16665 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
SCHEMBL28835342 0.81 HMGCR (0.44) TSHRALDH1A1TDP1HMGCRCHRM1
SCHEMBL11736148 0.76
SCHEMBL18562448 0.76 CES2 (0.31)
SCHEMBL28461926 0.72 SMN1; SMN2 (0.44) TSHRALDH1A1CYP2D6CYP2C19HIF1A
SCHEMBL3273364 0.69 CYP2D6 (0.35) TSHRALDH1A1HMGCRCHRM1TBXA2R
SCHEMBL18813488 0.68 TSHR (0.37) TSHRALDH1A1CYP2D6CYP2C19HIF1A
SCHEMBL1671590 0.67 ALDH1A1 (0.39) TSHRALDH1A1CYP2D6
SCHEMBL7200959 0.67
SCHEMBL11383349 0.67
SCHEMBL535726 0.67

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1401882-B1 CATALYST FOR POLYMERIZATION AND COPOLYMERIZATION OF ETHYLENE SAMSUNG GENERAL CHEMICALS CO (KR) 2006-06-14 EP disclosed
EP-1401882-A4 CATALYST FOR POLYMERIZATION AND COPOLYMERIZATION OF ETHYLENE SAMSUNG GENERAL CHEMICALS CO (KR) 2005-05-04 EP disclosed
EP-1421122-A4 CATALYST FOR POLYMERIZATION AND COPOLYMERIZATION OF ETHYLENE SAMSUNG GENERAL CHEMICALS CO (KR) 2005-05-04 EP disclosed
US-6881696-B2 Catalyst for polymerization and copolymerization of ethylene SAMSUNG GENERAL CHEMICALS CO., LTD. (KR) 2005-04-19 US disclosed
EP-1421122-A1 CATALYST FOR POLYMERIZATION AND COPOLYMERIZATION OF ETHYLENE Samsung General Chemicals Co., Ltd. (KR) 2004-05-26 EP disclosed
EP-1401882-A1 CATALYST FOR POLYMERIZATION AND COPOLYMERIZATION OF ETHYLENE Samsung General Chemicals Co., Ltd. (KR) 2004-03-31 EP disclosed
WO-2003000747-A1 CATALYST FOR POLYMERIZATION AND COPOLYMERIZATION OF ETHYLENE SAMSUNG GENERAL CHEMICALS CO., LTD. (KR) 2003-01-03 WO disclosed
WO-2003000745-A1 CATALYST FOR POLYMERIZATION AND COPOLYMERIZATION OF ETHYLENE SAMSUNG GENERAL CHEMICALS CO., LTD. (KR) 2003-01-03 WO disclosed