SCHEMBL1109724

SCHEMBL1109724

C=C(OCCCC)C(=O)OCC

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 7/20 0.50
ALDH1A1 P00352 2/20 0.50
HPGD P15428 1/20 0.48
ATM Q13315 1/20 0.47
HCAR2 Q8TDS4 1/20 0.41
NAAA Q02083 1/20 0.41
TDP1 Q9NUW8 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
FAAH O00519 2/20 0.40
ESR1 P03372 2/20 0.40
EPHX1 P07099 1/20 0.38
THRB P10828 1/20 0.38
LMNA P02545 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2D6 P10635 1/20 0.38
MAPK1 P28482 1/20 0.38
CYP2C19 P33261 1/20 0.38
NR1H2 P55055 1/20 0.38
RNASEL Q05823 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38

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
SCHEMBL11562740 0.94 TSHR (0.58) TSHRALDH1A1HPGDATMHCAR2
SCHEMBL196926 0.92 TSHR (0.55) TSHRALDH1A1HPGDATMHCAR2
SCHEMBL27849939 0.91 TSHR (0.59) TSHRALDH1A1HPGDATMHCAR2
SCHEMBL553813 0.89 THRB (0.46) TSHRALDH1A1HPGDATMFAAH
SCHEMBL31519527 0.88 TSHR (0.55) TSHRALDH1A1HPGDATMHCAR2
SCHEMBL6238875 0.88 TSHR (0.55) TSHRALDH1A1HPGDATMHCAR2
SCHEMBL6232516 0.87 ALDH1A1 (0.47) TSHRALDH1A1HCAR2THRBLMNA
SCHEMBL8463931 0.84 TSHR (0.52) TSHRALDH1A1HPGDATMHCAR2
SCHEMBL5184556 0.84 TSHR (0.67) TSHRALDH1A1HCAR2NAAAFAAH
SCHEMBL8816508 0.84 TSHR (0.52) TSHRALDH1A1HPGDATMHCAR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3642264-A1 CURABLE SILICONE COMPOSITION AND APPLICATIONS AND USES THEREOF Momentive Performance Materials Inc. (US) 2020-04-29 EP claimed
CN-110959019-A Block copolymer and method for producing block copolymer 电化株式会社 2020-04-03 CN claimed
WO-2018236679-A1 CURABLE SILICONE COMPOSITION AND APPLICATIONS AND USES THEREOF MOMENTIVE PERFORMANCE MATERIALS INC. (US) 2018-12-27 WO claimed
EP-2561857-B1 Composition for chemically modifying the internal region of a hair shaft PROCTER & GAMBLE (US) 2017-10-11 EP claimed
WO-2023171597-A1 HIGH-PURITY 4-(2-BROMOETHYL)BENZENESULFONIC ACID, HIGH-PURITY STYRENESULFONIC ACIDS DERIVED THEREFROM AND POLYMERS THEREOF, AND METHODS FOR PRODUCING SAME 東ソー・ファインケム株式会社 2023-09-14 WO disclosed
EP-3805313-B1 ACRYLIC ELASTOMER COMPOSITION DENKA COMPANY LTD (JP) 2023-05-03 EP disclosed
CN-110959019-B Block copolymer and method for producing block copolymer 电化株式会社 2022-10-14 CN disclosed
CN-114901448-A Polymer blends 杜邦聚合物公司 2022-08-12 CN disclosed
CN-109312138-B Acrylic rubber composition 电化株式会社 2021-07-09 CN disclosed
CN-109312137-B Acrylic rubber composition 电化株式会社 2021-07-09 CN disclosed
CN-113072758-A Nucleating agent for polyolefin resin, nucleating agent composition for polyolefin resin, master batch, and polyolefin resin composition 株式会社ADEKA 2021-07-06 CN disclosed
CN-111630099-B Nucleating agent for polyolefin resin, nucleating agent composition for polyolefin resin containing same, and polyolefin resin composition 株式会社ADEKA 2021-04-20 CN disclosed
US-20030187146-A1 Method of vulcanized bonding of heat-resistant rubber TOKAI RUBBER INDUSTRIES, LTD. (JP) 2003-10-02 US disclosed
EP-1348538-A1 Heat resistant fuel hose Tokai Rubber Industries, Ltd. (JP) 2003-10-01 EP disclosed
EP-1274753-A1 MULTIFUNCTIONAL POLYMERS, METHOD FOR THE PRODUCTION AND USE THEREOF BASF AKTIENGESELLSCHAFT (DE) 2003-01-15 EP disclosed
WO-2001077195-A1 MULTIFUNCTIONAL POLYMERS, METHOD FOR THE PRODUCTION AND USE THEREOF BASF AKTIENGESELLSCHAFT (DE) 2001-10-18 WO disclosed
EP-1097177-A1 CONTINUOUS BULK POLYMERIZATION AND ESTERIFICATION PROCESS AND COMPOSITIONS INCLUDING THE POLYMERIC PRODUCT S.C. Johnson Commercial Markets, Inc. (US) 2001-05-09 EP disclosed
WO-2000002934-A1 CONTINUOUS BULK POLYMERIZATION AND ESTERIFICATION PROCESS AND COMPOSITIONS INCLUDING THE POLYMERIC PRODUCT S. C. JOHNSON COMMERCIAL MARKETS, INC. (US) 2000-01-20 WO disclosed
EP-0230669-B1 RUBBER COMPOSITION AND HOSE AND DIAPHRAGM MADE THEREFROM DENKI KAGAKU KOGYO KABUSHIKI KAISHA (JP) 1991-10-30 EP disclosed
US-4194051-A Asymmetric catalysis MONSANTO COMPANY (US) 1980-03-18 US disclosed