SCHEMBL45388

SCHEMBL45388

C=CCC(CO)(CO)CC=C

nearest known ligand 0.41

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.41
ALDH1A1 P00352 3/20 0.37
TP53 P04637 1/20 0.37
CYP3A4 P08684 1/20 0.37
MAPK1 P28482 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
HIF1A Q16665 1/20 0.37

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
SCHEMBL4556468 0.93 TSHR (0.41) TSHRALDH1A1TP53CYP3A4MAPK1
SCHEMBL24603372 0.93 TSHR (0.41) TSHRALDH1A1TP53CYP3A4MAPK1
Alcohol SCHEMBL7187474 0.91 TSHR (0.35) TSHRALDH1A1TP53CYP3A4MAPK1
SCHEMBL3404643 0.84 TSHR (0.30) TSHRALDH1A1TP53CYP3A4MAPK1
SCHEMBL3518097 0.83 TSHR (0.33) TSHRALDH1A1TP53CYP3A4MAPK1
SCHEMBL9318291 0.83 TSHR (0.33) TSHRALDH1A1TP53CYP3A4MAPK1
SCHEMBL5006489 0.83
SCHEMBL5006496 0.83
SCHEMBL24603363 0.81 TSHR (0.32) TSHRALDH1A1TP53CYP3A4MAPK1
SCHEMBL9570536 0.79 ALDH1A1 (0.39) TSHRALDH1A1TP53CYP3A4MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2514779-B1 POLYCARBONATE DIOL-CONTAINING COMPOSITION, PROCESS FOR PRODUCING THE SAME, POLYURETHANE OBTAINED USING THE SAME, AND PROCESS FOR PRODUCING THE POLYURETHANE MITSUBISHI CHEM CORP (JP) 2024-04-03 EP claimed
CN-117700671-A Biomass polylactic acid-based waterborne polyurethane, biomass polylactic acid-based waterborne polyurethane elastomer and preparation methods of biomass polylactic acid-based waterborne polyurethane and biomass polylactic acid-based waterborne polyurethane elastomer 安徽大学绿色产业创新研究院 2024-03-15 CN claimed
CN-109153624-B Process for producing mixed 2, 2-dialkyl-1, 3-propanediol 佩什托普公司 2022-11-29 CN claimed
US-10882814-B2 Method for producing an ester PERSTORP AB (SE) 2021-01-05 US claimed
US-20200331838-A1 METHOD FOR PRODUCING AN ESTER PERSTORP AB (SE) 2020-10-22 US claimed
CN-109160996-B Polyurethane aqueous emulsion, condom and preparation method thereof 四川大学 2020-09-18 CN claimed
CN-109160990-B Alkyl side chain modified polyurethane aqueous emulsion, preparation method thereof and application thereof in polyurethane condom 四川大学 2020-09-18 CN claimed
EP-2591040-B1 ALKYD RESIN PERSTORP AB (SE) 2019-08-14 EP claimed
EP-3455200-A1 PROCESS FOR PRODUCTION OF MIXED 2,2-DIALKYL-1,3-PROPANEDIOLS Perstorp AB (SE) 2019-03-20 EP claimed
EP-3452440-A1 METHOD FOR PRODUCING AN ESTER Perstorp AB (SE) 2019-03-13 EP claimed
US-6087466-A POLYESTERURETHANE COPOLYMERS KYOWA YUKA CO., LTD. (JP) 2000-07-11 US claimed
WO-2000035895-A1 PROCESS FOR PRODUCTION OF AN OXETANE PERSTORP AB (SE) 2000-06-22 WO claimed
WO-2000031012-A1 PROCESS FOR PRODUCTION OF AN ALLYLOXY CARBOXYLIC ACID PERSTORP AB (SE) 2000-06-02 WO claimed
WO-2000018751-A1 NOVEL PRIMARY EPOXIDES PERSTORP AB (SE) 2000-04-06 WO claimed
CN-1219953-A Fabric softening compound/composition PROCTER & GAMBLE (US) 1999-06-16 CN claimed
EP-0908481-A1 POLYURETHANES AND POLYESTER POLYOLS Kyowa Yuka Co., Ltd. (JP) 1999-04-14 EP claimed
CN-1195369-A Concentrated and stable fabric softening compositions PROCTER & GAMBLE (US) 1998-10-07 CN claimed
US-4804769-A PAPER ADDITIVES NATIONAL STARCH AND CHEMICAL CORPORATION (US) 1989-02-14 US claimed
US-4622428-A REACTION OF AMMONIA AND A DIOL BASF AKTIENGESELLSCHAFT (DE) 1986-11-11 US claimed
EP-0107124-B1 PROCESS FOR PREPARING 1,3-DIAMINO-2,2-DIALKYL PROPANES BASF Aktiengesellschaft (DE) 1986-01-02 EP claimed