SCHEMBL7107538

SCHEMBL7107538

C=C(C)C(=O)OCCCCCCCCCCCC.C=C(C)C(=O)OCc1ccccc1

nearest known ligand 0.67

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TSHR P16473 5/20 0.67
ALDH1A1 P00352 4/20 0.55
TDP1 Q9NUW8 2/20 0.55
CYP3A4 P08684 2/20 0.55
MAPK1 P28482 2/20 0.55
L3MBTL1 Q9Y468 1/20 0.55
POLB P06746 2/20 0.52
APEX1 P27695 1/20 0.52
HTT P42858 1/20 0.52
LMNA P02545 1/20 0.50
CETP P11597 3/20 0.49
TP53 P04637 1/20 0.48
KDM4E B2RXH2 1/20 0.45
HSD17B10 Q99714 1/20 0.45
PPARG P37231 3/20 0.44

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
SCHEMBL8945466 1.00 TSHR (0.67) TSHRALDH1A1TDP1CYP3A4MAPK1
SCHEMBL18990497 1.00 TSHR (0.67) TSHRALDH1A1TDP1CYP3A4MAPK1
SCHEMBL28154418 1.00 TSHR (0.67) TSHRALDH1A1TDP1CYP3A4MAPK1
SCHEMBL28102570 1.00 TSHR (0.67) TSHRALDH1A1TDP1CYP3A4MAPK1
SCHEMBL28476399 1.00 TSHR (0.67) TSHRALDH1A1TDP1CYP3A4MAPK1
Maleic Anhydride SCHEMBL28719129 0.91 TSHR (0.55) TSHRALDH1A1TDP1CYP3A4MAPK1
SCHEMBL9638004 0.90 TSHR (0.57) TSHRALDH1A1TDP1CYP3A4MAPK1
SCHEMBL28268541 0.90 TSHR (0.57) TSHRALDH1A1TDP1CYP3A4MAPK1
SCHEMBL20023007 0.90 TSHR (0.61) TSHRALDH1A1TDP1CYP3A4MAPK1
SCHEMBL20023005 0.90 TSHR (0.61) TSHRALDH1A1TDP1CYP3A4MAPK1

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
CN-106795381-A Erodible antifouling paint composition PPG涂料欧洲有限责任公司 2017-05-31 CN disclosed
CN-106574141-A Reactive resin sealing for low-contaminant cold plastic markings 赢创罗姆有限公司 2017-04-19 CN disclosed
CN-102471613-B Binder for producing road markings which are quickly adaptable to traffic 赢创罗姆有限公司 2016-08-24 CN disclosed
EP-1021472-B1 POLYMER COMPOSITION NAT STARCH CHEM INVEST (US) 2003-10-22 EP disclosed
US-6372846-B1 A POLY(ALKYL(METH)ACRYLATE) BASE POLYMER AND A RUBBER TOUGHENING AGENT PRESENT AS DISCRETE ISLANDS AND SUB-ISLANDS, CONFINED BY THE BASE POLYMER; MOULDINGS; IMPACT STRENGTH; EXTERNAL LIGHT CLUSTERS FOR AUTOMOBILES NATIONAL STARCH AND CHEMICAL INVESTMENT HOLDING CORPORATION 2002-04-16 US disclosed
EP-1021472-A1 POLYMER COMPOSITION Ineos Acrylics UK Limited (GB) 2000-07-26 EP disclosed
WO-1999012986-A1 POLYMER COMPOSITION INEOS ACRYLICS UK LIMITED (GB) 1999-03-18 WO disclosed
US-5589312-A RESIN GRAINS FUJI PHOTO FILM CO., LTD. (JP) 1996-12-31 US disclosed