SCHEMBL4060095

SCHEMBL4060095

COC(=O)CCOCCC(=O)OC

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.67
KMT2A Q03164 3/20 0.48
MEN1 O00255 2/20 0.48
LMNA P02545 3/20 0.46
CA12 O43570 3/20 0.46
CA14 Q9ULX7 3/20 0.46
KDM4E B2RXH2 1/20 0.46
HSD17B10 Q99714 2/20 0.46
MGAM O43451 1/20 0.46
GAA P10253 1/20 0.46
SI P14410 1/20 0.46
MGAM2 Q2M2H8 1/20 0.46
ALDH1A1 P00352 2/20 0.44
MAPT P10636 1/20 0.44
HTT P42858 1/20 0.44
RECQL P46063 1/20 0.41
TET2 Q6N021 1/20 0.37
SLC1A1 P43005 1/20 0.36
CA7 P43166 1/20 0.36
CA9 Q16790 1/20 0.36

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
SCHEMBL3682553 0.97 TSHR (0.63) TSHRKMT2AMEN1LMNACA12
SCHEMBL28305335 0.90 TSHR (0.64) TSHRKMT2AMEN1LMNACA12
SCHEMBL10262406 0.90 TSHR (0.55) TSHRKMT2AMEN1LMNACA12
SCHEMBL9472095 0.90 TSHR (0.55) TSHRKMT2AMEN1LMNACA12
SCHEMBL445490 0.90 TSHR (0.55) TSHRKMT2AMEN1LMNACA12
SCHEMBL25444889 0.90 TSHR (0.60) TSHRKMT2AMEN1LMNACA12
SCHEMBL17844866 0.88 TSHR (0.58) TSHRKMT2AMEN1LMNACA12
SCHEMBL15763881 0.88 TSHR (0.52) TSHRKMT2AMEN1LMNACA12
SCHEMBL21855325 0.88 TSHR (0.52) TSHRKMT2AMEN1LMNACA12
SCHEMBL19666667 0.88 TSHR (0.52) TSHRKMT2AMEN1LMNACA12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2025016798-A1 3-[2-(2-OXO-1,3-DIOXOLAN-4-YLIDENE)ETHOXY]PROPANOIC ACID DERIVATIVES AS PRECURSORS OF MONOMERS IN POLYMERISATIONS BASF SE (DE) 2025-01-23 WO disclosed
WO-2025016796-A1 3-(4-HYDROXYBUT-2-YNOXY)PROPANOIC ACID ESTER, AMIDE AND NITRILE DERIVATIVES AS CORROSION PROTECTION AGENTS BASF SE (DE) 2025-01-23 WO disclosed
WO-2014114542-A1 ELECTROLYTE FOR LITHIUM CELL ROBERT BOSCH GMBH (DE) 2014-07-31 WO disclosed
WO-2009049018-A1 NOVEL COMPOUNDS AND METHODS OF USING THEM SYNDAX PHARMACEUTICALS, INC. (US) 2009-04-16 WO disclosed
US-7507560-B2 Enzymatic production of macrocyclic amide oligomers E. I. DU PONT DE NEMOURS AND COMPANY (US) 2009-03-24 US disclosed
CN-101094922-A Enzymatic production of macrocyclic amide oligomers DU PONT (US) 2007-12-26 CN disclosed
EP-1809757-A1 ENZYMATIC PRODUCTION OF MACROCYCLIC AMIDE OLIGOMERS E.I. DUPONT DE NEMOURS AND COMPANY (US) 2007-07-25 EP disclosed
US-20060148044-A1 Enzymatic production of macrocyclic amide oligomers E. I. DU PONT DE NEMOURS AND COMPANY 2006-07-06 US disclosed
WO-2006053296-A1 ENZYMATIC PRODUCTION OF MACROCYCLIC AMIDE OLIGOMERS E.I. DUPONT DE NEMOURS AND COMPANY (US) 2006-05-18 WO disclosed
EP-1654266-A1 NOVEL METATHESIS CATALYSTS Boehringer Ingelheim International GmbH (DE) 2006-05-10 EP disclosed
WO-2005016944-A1 NOVEL METATHESIS CATALYSTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2005-02-24 WO disclosed
EP-0566692-B1 CURING FLUOROCARBON ELASTOMERS DYNEON LLC (US) 1998-08-26 EP disclosed
US-5384374-A Low temperature properties MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1995-01-24 US disclosed
US-5266650-A Shaping and curing for hoses and o-rings MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1993-11-30 US disclosed
EP-0566692-A1 CURING FLUOROCARBON ELASTOMERS MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1993-10-27 EP disclosed
WO-1992012199-A1 CURING FLUOROCARBON ELASTOMERS MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1992-07-23 WO disclosed