SCHEMBL1712975

SCHEMBL1712975

C#COC(=O)CCCCC(=O)OC#C

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.38
GSTP1 P09211 1/20 0.36
MAPT P10636 2/20 0.36
CYP1A2 P05177 2/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
HSD17B10 Q99714 1/20 0.36
DGKA P23743 1/20 0.34
LMNA P02545 5/20 0.32
PAM P19021 2/20 0.31
ALDH1A1 P00352 1/20 0.31
NFKB1 P19838 1/20 0.30
PMP22 Q01453 1/20 0.30
MAPK1 P28482 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
SCHEMBL1712782 0.97 MAPT (0.39) TSHRGSTP1MAPTCYP1A2CYP2D6
SCHEMBL2261658 0.97 MAPT (0.39) TSHRGSTP1MAPTCYP1A2CYP2D6
SCHEMBL27490503 0.97 MAPT (0.39) TSHRGSTP1MAPTCYP1A2CYP2D6
SCHEMBL9248745 0.89 GPR84 (0.44) TSHRGSTP1MAPTCYP1A2CYP2D6
SCHEMBL7356015 0.89 DGKA (0.52) TSHRMAPTHSD17B10DGKALMNA
SCHEMBL3859891 0.89 HSD17B10 (0.54) TSHRMAPTCYP1A2CYP2D6CYP2C9
SCHEMBL5157552 0.89 HSD17B10 (0.54) TSHRMAPTCYP1A2CYP2D6CYP2C9
SCHEMBL14032355 0.88 TSHR (0.38) TSHR
SCHEMBL5705163 0.87 DGKA (0.55) TSHRMAPTHSD17B10DGKALMNA
SCHEMBL8587852 0.87 DGKA (0.55) TSHRMAPTHSD17B10DGKALMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2344568-B1 ACETYLENIC POLYAMIDE NEXAM CHEMICAL AB (SE) 2017-12-20 EP claimed
US-8492507-B2 Acetylenic polyamide NEXAM CHEMICAL AB (SE) 2013-07-23 US claimed
CN-102159622-A Acetylenic polyamide NEXAM CHEMICAL AB 2011-08-17 CN claimed
US-20110190469-A1 ACETYLENIC POLYAMIDE NEXAM CHEMICAL AB (SE) 2011-08-04 US claimed
EP-2344568-A1 ACETYLENIC POLYAMIDE Nexam Chemical AB (SE) 2011-07-20 EP claimed
WO-2010036170-A1 ACETYLENIC POLYAMIDE NEXAM CHEMICAL AB (SE) 2010-04-01 WO claimed
CN-1075499-C Quinolone-and naphthyridonecarboxylic acid derivatives BAYER AG (DE) 2001-11-28 CN claimed
CN-1043142-C Quinolone-and naphthyridonecarboxylic acid derivatives, their preparation and use BAYER AG (DE) 1999-04-28 CN claimed
EP-2344568-B1 ACETYLENIC POLYAMIDE NEXAM CHEMICAL AB (SE) 2017-12-20 EP disclosed
US-8492507-B2 Acetylenic polyamide NEXAM CHEMICAL AB (SE) 2013-07-23 US disclosed
CN-102159622-A Acetylenic polyamide NEXAM CHEMICAL AB 2011-08-17 CN disclosed
US-20110190469-A1 ACETYLENIC POLYAMIDE NEXAM CHEMICAL AB (SE) 2011-08-04 US disclosed
EP-2344568-A1 ACETYLENIC POLYAMIDE Nexam Chemical AB (SE) 2011-07-20 EP disclosed
WO-2010036170-A1 ACETYLENIC POLYAMIDE NEXAM CHEMICAL AB (SE) 2010-04-01 WO disclosed
WO-2010036175-A1 MOULDED ARTICLE OBTAINED FROM ACETYLENIC POLYAMIDE NEXAM CHEMICALS (SE) 2010-04-01 WO disclosed
US-7482417-B2 Papermaking chemical, method for manufacturing same, and paper containing same SEIKO PMC CORPORATION (JP) 2009-01-27 US disclosed
US-20050272889-A1 Papermaking chemical, method for manufacturing same, and paper containing same SEIKO PMC CORPORATION (JP) 2005-12-08 US disclosed
EP-1486515-A1 (METH)ACRYLAMIDE POLYMER, PROCESS FOR PRODUCTION THEREOF, PAPER MAKING CHEMICALS, PAPERS CONTAINING THE SAME Seiko PMC Corporation (JP) 2004-12-15 EP disclosed