SCHEMBL1077874

SCHEMBL1077874

C=CCOC(=O)CC=CC

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.52
TDP1 Q9NUW8 1/20 0.43
SMN1; SMN2 Q16637 3/20 0.39
PKM P14618 1/20 0.39
ALDH1A1 P00352 6/20 0.37
GAA P10253 1/20 0.37
CYP3A4 P08684 2/20 0.37
NPSR1 Q6W5P4 1/20 0.37
MAPT P10636 2/20 0.35
CACNA1B Q00975 1/20 0.35
APBA1 Q02410 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.34
LMNA P02545 2/20 0.33
EPHX2 P34913 1/20 0.33
HSD17B10 Q99714 3/20 0.33
KDM4E B2RXH2 2/20 0.32
HPGD P15428 2/20 0.32
RHOA P61586 1/20 0.31
USP2 O75604 1/20 0.30
RECQL P46063 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
SCHEMBL1077872 1.00 TSHR (0.52) TSHRTDP1SMN1; SMN2PKMALDH1A1
SCHEMBL9395446 0.87 TSHR (0.48) TSHRTDP1SMN1; SMN2PKMALDH1A1
SCHEMBL9395434 0.87 TSHR (0.48) TSHRTDP1SMN1; SMN2PKMALDH1A1
SCHEMBL8912587 0.85 TSHR (0.44) TSHRTDP1SMN1; SMN2PKMALDH1A1
SCHEMBL7745837 0.85 TSHR (0.34) TSHR
SCHEMBL11850207 0.83 TSHR (0.43) TSHRTDP1SMN1; SMN2PKMALDH1A1
SCHEMBL7594167 0.83
SCHEMBL6050159 0.82 TSHR (0.50) TSHRTDP1SMN1; SMN2PKMALDH1A1
SCHEMBL6050151 0.82 TSHR (0.50) TSHRTDP1SMN1; SMN2PKMALDH1A1
SCHEMBL3795992 0.81 TSHR (0.44) TSHRTDP1SMN1; SMN2PKMALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1905511-B1 Polymeric phosphorus-containing compositions and their use in hydrocyanation, unsaturated nitrile isomerization and hydroformylation reactions INVISTA TECH SARL (CH) 2013-03-27 EP claimed
CN-102639568-A Functionalized polymers and methods for their manufacture BRIDGESTONE CORP 2012-08-15 CN claimed
EP-2277623-A2 Polymeric phosphorus-containing compositions and their use in hydrocyanation, unsaturated nitrile isomerization and hydroformylation reactions INVISTA Technologies S.à.r.l. (CH) 2011-01-26 EP claimed
EP-1448298-B1 POLYMERIC PHOSPHORUS-CONTAINING COMPOSITIONS AND THEIR USE IN HYDROCYANATION, UNSATURATED NITRILE ISOMERIZATION AND HYDROFORMYLATION REACTIONS INVISTA TECH SARL (CH) 2010-09-22 EP claimed
EP-1586598-B1 Process for preparation of polymeric, phosphorus-containing compositions INVISTA TECH SARL (CH) 2009-09-09 EP claimed
EP-1571172-B1 Polymeric, phosphorus-containing compositions and their use in hydrocyanation, isomerization and hydroformylation reactions INVISTA TECH SARL (CH) 2008-10-22 EP claimed
EP-1534657-B1 PROCESS FOR PREPARING ALDEHYDE COMPOUNDS INVISTA TECH SARL (CH) 2008-10-08 EP claimed
US-7388121-B2 Process to separate butadiene dimers DSM IP ASSETS B.V. (NL) 2008-06-17 US claimed
EP-1905511-A2 Phosphorus-containing compositions and their use in hydrocyanation, isomerization and hydroformylation reactions INVISTA Technologies S.à.r.l. (CH) 2008-04-02 EP claimed
EP-1448668-B1 POLYMERIC, PHOSPHOROUS-CONTAINING COMPOSITIONS AND THEIR USE IN HYDROCYANATION, ISOMERIZATION AND HYDROFORMYLATION REACTIONS DU PONT (US) 2006-08-09 EP claimed
EP-0543739-B1 Process for the preparation of alkyl adipates RHONE POULENC CHIMIE (FR) 1996-01-31 EP claimed
WO-1995028228-A1 BIDENTATE PHOSPHITE AND NICKEL CATALYST COMPOSITIONS FOR HYDROCYANATION OF MONOOLEFINS E.I. DU PONT DE NEMOURS AND COMPANY (US) 1995-10-26 WO claimed
WO-1995014659-A1 PROCESSES AND CATALYST COMPOSITIONS FOR HYDROCYANATION OF MONOOLEFINS E.I. DU PONT DE NEMOURS AND COMPANY (US) 1995-06-01 WO claimed
WO-1995006027-A1 PROCESS FOR THE PREPARATION OF A MIXTURE OF ALKYL PENTENOATES DSM N.V. (NL) 1995-03-02 WO claimed
EP-0177641-B1 MANUFACTURE OF BUTANEDICARBOXYLIC ACID ESTERS E.I. DU PONT DE NEMOURS AND COMPANY (US) 1993-03-03 EP claimed
EP-0251728-B1 CARBOALKOXYLATION OF BUTADIENE TO FORM DIALKYL ADIPATE E.I. DU PONT DE NEMOURS AND COMPANY (US) 1992-01-29 EP claimed
EP-0251728-A2 Carboalkoxylation of butadiene to form dialkyl adipate E.I. DU PONT DE NEMOURS AND COMPANY (US) 1988-01-07 EP claimed
US-4692549-A Carboalkoxylation of butadiene to form dialkyl adipate E. I. DU PONT DE NEMOURS AND COMPANY (US) 1987-09-08 US claimed
US-4550195-A CARBONYLATION OF BUTADIENE WITH CARBON MONOXIDE AND ALCOHOL BASF AKTIENGESELLSCHAFT (DE) 1985-10-29 US claimed
EP-0025112-B1 PROCESS FOR THE PREPARATION OF 3-PENTENOIC ACID ESTERS OF ALCANOLS CONTAINING 1 TO 4 CARBON ATOMS BASF Aktiengesellschaft (DE) 1982-04-07 EP claimed