SCHEMBL3621633

SCHEMBL3621633

CC(C)C(CO)(CO)C(C)C

nearest known ligand 0.47

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.47
TDP1 Q9NUW8 1/20 0.44
ALDH1A1 P00352 2/20 0.35
CYP2C19 P33261 1/20 0.35

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
SCHEMBL2409442 0.81 TSHR (0.37) TSHRTDP1
SCHEMBL1614539 0.78 TSHR (0.35) TSHRTDP1
SCHEMBL17464881 0.76 TSHR (0.43) TSHRTDP1
SCHEMBL17464936 0.73 TSHR (0.35) TSHRTDP1
SCHEMBL1681306 0.72 TSHR (0.41) TSHRTDP1ALDH1A1
SCHEMBL12822305 0.72 TSHR (0.33) TSHRTDP1ALDH1A1CYP2C19
SCHEMBL3674997 0.69 TSHR (0.39) TSHRTDP1ALDH1A1
SCHEMBL1351931 0.69 TSHR (0.39) TSHRTDP1
SCHEMBL6913846 0.69 DPP4 (0.40) TSHRTDP1ALDH1A1CYP2C19
SCHEMBL2507552 0.69 TSHR (0.38) TSHRTDP1ALDH1A1CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114957603-B Thermoplastic polyurethane elastomer material and preparation method thereof 万华化学集团股份有限公司 2023-05-30 CN claimed
CN-114957603-A Thermoplastic polyurethane elastomer material and preparation method thereof 万华化学集团股份有限公司 2022-08-30 CN claimed
CN-108484805-B High-activity polyethylene Ziegler-Natta catalyst and preparation method and application thereof 营口风光新材料股份有限公司 2021-02-09 CN claimed
CN-108484805-A A kind of Highh activity polyethylene Ziegler-Natta catalyst and its preparation method and application 营口风光新材料股份有限公司 2018-09-04 CN claimed
JP-8269122-A None JP disclosed
CN-118271587-A Polycarbonate copolymer and preparation method and application thereof 华东理工大学 2024-07-02 CN disclosed
CN-118126304-A Polycarbonate copolymer and preparation method and application thereof 华东理工大学 2024-06-04 CN disclosed
EP-4349893-A1 RESIN COMPOSITION FOR PHENOL FOAM AND FOAM Asahi Yukizai Corporation (JP) 2024-04-10 EP disclosed
CN-115397884-B Copolyester resin, heat-shrinkable film, heat-shrinkable label and package 东洋纺株式会社 2023-07-25 CN disclosed
CN-114957603-B Thermoplastic polyurethane elastomer material and preparation method thereof 万华化学集团股份有限公司 2023-05-30 CN disclosed
WO-2022255292-A1 RESIN COMPOSITION FOR PHENOL FOAM AND FOAM 旭有機材株式会社 2022-12-08 WO disclosed
CN-115397884-A Copolyester resin, heat shrinkable film, heat shrinkable label, and package 东洋纺株式会社 2022-11-25 CN disclosed
EP-0222414-A2 Novel organic selenium compounds NIPPON KAYAKU KABUSHIKI KAISHA (JP) 1987-05-20 EP disclosed
US-4622038-A POLYOXYALKYLATED 2,2-DIALKYL-1,3-PROPANEDIOLS BASF CORPORATION (US) 1986-11-11 US disclosed
EP-0189804-A2 Low residue fiber spin finishes BASF Corporation (US) 1986-08-06 EP disclosed
EP-0035687-B1 SOLUTIONS OF POLYURETHANES IN POLYOLS AND THEIR USE IN A PROCESS FOR THE PREPARATION OF FLEXIBLE CELLULAR POLYURETHANE BAYER AG (DE) 1984-07-25 EP disclosed
US-4371630-A Solution of a polyurethane in a polyol and a process for using such a solution in the production of polyurethane plastics BAYER AKTIENGESELLSCHAFT (DE) 1983-02-01 US disclosed
EP-0049565-A2 Derivatives of substituted N-alkylimidazoles, their preparation and pharmaceutical compositions containing them SYNTEX (U.S.A.) INC. (US) 1982-04-14 EP disclosed
US-4321272-A Derivatives of substituted N-alkylimidazoles SYNTEX (U.S.A.) INC. (US) 1982-03-23 US disclosed
EP-0035687-A1 Solutions of polyurethanes in polyols and their use in a process for the preparation of flexible cellular polyurethane BAYER AG (DE) 1981-09-16 EP disclosed