SCHEMBL3689084

SCHEMBL3689084

CC(C)CCCCCSCC(=O)[O-].CC(C)CCCCCSCC(=O)[O-].CC(C)CCCCCSCC(=O)[O-].CCCC[Sn+3]

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES2 O00748 3/20 0.44
GMNN O75496 1/20 0.44
TP53 P04637 1/20 0.44
POLB P06746 1/20 0.44
MAPT P10636 1/20 0.44
THRB P10828 1/20 0.44
CYP2C9 P11712 1/20 0.44
BLM P54132 1/20 0.44
HSD17B10 Q99714 1/20 0.44
CES1 P23141 5/20 0.40
FAAH O00519 4/20 0.40
PLA2G6 O60733 1/20 0.40
CA1 P00915 4/20 0.38
EPHX1 P07099 1/20 0.37
GPR84 Q9NQS5 1/20 0.36
CA2 P00918 2/20 0.36
NFKB1 P19838 1/20 0.34
ACE2 Q9BYF1 1/20 0.32
LMNA P02545 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32

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
SCHEMBL5037538 0.96 CES2 (0.46) CES2GMNNTP53POLBMAPT
SCHEMBL17868326 0.88 CA1 (0.41) CES2GMNNTP53POLBMAPT
SCHEMBL10332227 0.88 CES2 (0.56) CES2GMNNTP53POLBMAPT
SCHEMBL11877688 0.88 CES2 (0.56) CES2GMNNTP53POLBMAPT
SCHEMBL3715599 0.87 GPR84 (0.42) CES2GMNNTP53POLBMAPT
SCHEMBL11841378 0.86 CA1 (0.42) CES2GMNNTP53POLBMAPT
SCHEMBL11311323 0.86 CA1 (0.42) CES2GMNNTP53POLBMAPT
SCHEMBL9721152 0.86 CA1 (0.42) CES2GMNNTP53POLBMAPT
SCHEMBL11155573 0.86 CA1 (0.42) CES2GMNNTP53POLBMAPT
SCHEMBL27695956 0.86 CA1 (0.42) CES2GMNNTP53POLBMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4183846-A FOR HEAT RESISTANT VINYL CHLORIDE POLYMERS M&T CHEMICALS INC. (US) 1980-01-15 US claimed
JP-55160044-A None JP disclosed
EP-3889199-B1 POLYESTER POLYOL AND POLYURETHANE DAICEL CORP (JP) 2025-08-20 EP disclosed
US-20240392060-A1 COMPOSITION FOR POLYURETHANE ELASTOMER, AND POLYURETHANE ELASTOMER DAICEL CORPORATION (JP) 2024-11-28 US disclosed
US-12071504-B2 Polyester polyol and polyurethane DAICEL CORPORATION (JP) 2024-08-27 US disclosed
EP-4403587-A1 COMPOSITION FOR POLYURETHANE ELASTOMER, AND POLYURETHANE ELASTOMER Daicel Corporation (JP) 2024-07-24 EP disclosed
WO-2023042824-A1 COMPOSITION FOR POLYURETHANE ELASTOMER, AND POLYURETHANE ELASTOMER 株式会社ダイセル 2023-03-23 WO disclosed
US-20220089807-A1 POLYESTER POLYOL AND POLYURETHANE DAICEL CORPORATION (JP) 2022-03-24 US disclosed
EP-3889199-A1 POLYESTER POLYOL AND POLYURETHANE Daicel Corporation (JP) 2021-10-06 EP disclosed
EP-2907844-B1 RESIN COMPOSITION FOR PRINTING FILM AND PRINTING FILM ADEKA CORP (JP) 2017-09-20 EP disclosed
US-5356981-A An inorganic copper compound adsorbed into hydrotalcite; polyvinyl chloride ASAHI DENKA KOGYO KABUSHIKI KAISHA (JP) 1994-10-18 US disclosed
EP-0333468-B1 PROCESS FOR PRODUCTION OF ESTER COMPOUNDS YOSHITOMI PHARMACEUTICAL INDUSTRIES, LTD. (JP) 1993-01-07 EP disclosed
EP-0483400-A1 Stabilized chlorinated resin composition ASAHI DENKA KOGYO KABUSHIKI KAISHA (JP) 1992-05-06 EP disclosed
US-5081280-A PROCESS FOR THE PRODUCTION OF ESTER COMPOUNDS YOSHITOMI PHARMACEUTICAL INDUSTRIES, LTD. (JP) 1992-01-14 US disclosed
EP-0333468-A2 Process for production of ester compounds YOSHITOMI PHARMACEUTICAL INDUSTRIES, LTD. (JP) 1989-09-20 EP disclosed
US-4371656-A Metal substituted zeolites as stabilizers for halogen-containing resins NIPPON CHEMICAL INDUSTRIAL CO., LTD. (JP) 1983-02-01 US disclosed
JP-S55160044-A STABILIZED HALOGEN-CONTAINING RESIN COMPOSITION ADEKA ARGUS CHEM CO LTD 1980-12-12 JP disclosed
US-4146518-A ORGANOTIN COMPOUNDS ARGUS CHEMICAL CORPORATION (US) 1979-03-27 US disclosed
US-3962296-A Process for the preparation of stabilizers for synthetic resins SANKYO ORGANIC CHEMICALS CO., LTD. (JA) 1976-06-08 US disclosed
US-3953385-A VINYL CHLORIDE POLYMER, BLOWING AGENT, DIORGANOTIN MERCAPTIDE M&T CHEMICALS INC. (US) 1976-04-27 US disclosed