SCHEMBL227554

SCHEMBL227554

C=C(CC(=O)OCC(CC)CCCC)C(=O)OCC(CC)CCCC

nearest known ligand 0.62

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 5/20 0.62
TSHR P16473 3/20 0.62
TDP1 Q9NUW8 2/20 0.62
ATM Q13315 1/20 0.62
RECQL P46063 1/20 0.52
ALDH1A1 P00352 7/20 0.48
CA2 P00918 4/20 0.48
LMNA P02545 3/20 0.44
MAPK1 P28482 3/20 0.44
HSD17B10 Q99714 1/20 0.43
PRSS1 P07477 1/20 0.43
PRSS2 P07478 1/20 0.43
PRSS3 P35030 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.42
MMP9 P14780 1/20 0.41
MMP8 P22894 1/20 0.41
MMP14 P50281 1/20 0.41
CA1 P00915 1/20 0.40

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
SCHEMBL6517026 0.90 CYP3A4 (0.55) CYP3A4TSHRTDP1ATMRECQL
SCHEMBL6514835 0.90 CYP3A4 (0.55) CYP3A4TSHRTDP1ATMRECQL
SCHEMBL2012831 0.88 TSHR (0.55) CYP3A4TSHRTDP1ATMRECQL
SCHEMBL2012834 0.88 CYP3A4 (0.62) CYP3A4TSHRTDP1ATMRECQL
SCHEMBL6515844 0.88 CYP3A4 (0.55) CYP3A4TSHRTDP1ATMRECQL
SCHEMBL4374379 0.88 TSHR (0.56) CYP3A4TSHRTDP1ATMRECQL
SCHEMBL9548444 0.87 TSHR (0.54) CYP3A4TSHRTDP1ATMRECQL
SCHEMBL17241162 0.87 CYP3A4 (0.69) CYP3A4TSHRTDP1ATMRECQL
SCHEMBL9548454 0.87 CYP3A4 (0.60) CYP3A4TSHRTDP1ATMRECQL
SCHEMBL16412767 0.86 TSHR (0.59) CYP3A4TSHRTDP1ATMRECQL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150072386-A1 METHOD FOR PRODUCING ORGANIC ACID ASAHI GLASS COMPANY, LIMITED (JP) 2015-03-12 US claimed
EP-0565563-B1 BIOCOMPATIBLE MOULDABLE POLYMERIC MATERIAL SECR HEALTH BRIT (GB) 1997-09-17 EP claimed
US-5444110-A A triazine compound and a plasticizer NIPPON ZEON CO., LTD. (JP) 1995-08-22 US claimed
US-5409989-A Comprising styrene/acrylic/ polyester graft polymers; for xerographic printing MITSUBISHI RAYON CO., LTD. (JP) 1995-04-25 US claimed
US-5401806-A Acrylate polymers and monomers with plasticizers for molding materials THE SECRETARY OF STATE FOR HEALTH IN HER BRITANNIC MAJESTY'S GOVERNMENT OF THE UNITED KINGDOM OF GREAT BRITAIN AND NORTHERN IRELAND 1995-03-28 US claimed
EP-0565563-A1 BIOCOMPATIBLE MOULDABLE POLYMERIC MATERIAL. SECR HEALTH BRIT (GB) 1993-10-20 EP claimed
EP-0268662-B1 HOMOGENEOUS COPOLYMERIZATION OF NON-POLAR MONOMERS WITH IONIC AMPHIPHILIC MONOMERS THE DOW CHEMICAL COMPANY (US) 1993-04-21 EP claimed
US-5159035-A Addition polymerization in oil phase THE DOW CHEMICAL COMPANY (US) 1992-10-27 US claimed
WO-1992012189-A1 BIOCOMPATIBLE MOULDABLE POLYMERIC MATERIAL THE SECRETARY OF STATE FOR HEALTH IN HER BRITANNIC MAJESTY'S GOVERNMENT OF THE UNITED KINGDOM OF GREAT BRITAIN AND NORTHERN IRELAND (GB) 1992-07-23 WO claimed
US-4933405-A UNSATURATED AMMONIUM STYRENESULFONATES, ZINC MONOALKYL MALEATES OR ITACONATE THE DOW CHEMICAL COMPANY (US) 1990-06-12 US claimed
US-4810612-A GRAFT MODIFIED POLYOLEFIN MITSUI PETROCHEMICAL INDUSTRIES, LTD. (JP) 1989-03-07 US claimed
EP-0268662-A4 HOMOGENEOUS COPOLYMERIZATION OF NON-POLAR MONOMERS WITH IONIC AMPHIPHILIC MONOMERS. DOW CHEMICAL CO (US) 1988-11-22 EP claimed
EP-0268662-A1 HOMOGENEOUS COPOLYMERIZATION OF NON-POLAR MONOMERS WITH IONIC AMPHIPHILIC MONOMERS. DOW CHEMICAL CO (US) 1988-06-01 EP claimed
WO-1987007621-A1 HOMOGENEOUS COPOLYMERIZATION OF NON-POLAR MONOMERS WITH IONIC AMPHIPHILIC MONOMERS THE DOW CHEMICAL COMPANY (US) 1987-12-17 WO claimed
US-3972847-A PEROXIDES DYNAMIT NOBEL AKTIENGESELLSCHAFT (DT) 1976-08-03 US claimed
EP-4748901-A1 POLYISOCYANATE COMPOSITION, TWO-COMPONENT CURABLE COMPOSITION, TWO-COMPONENT CURABLE COATING AGENT, TWO-COMPONENT CURABLE ADHESIVE, LAMINATE, AND PACKAGING MATERIAL DIC Corporation (JP) 2026-05-27 EP disclosed
EP-4748900-A1 POLYISOCYANATE COMPOSITION, TWO-COMPONENT CURABLE COMPOSITION, TWO-COMPONENT CURABLE COATING AGENT, TWO-COMPONENT CURABLE ADHESIVE, LAMINATE, AND PACKAGING MATERIAL DIC Corporation (JP) 2026-05-27 EP disclosed
EP-0113591-A2 Oil and fuel compositions, polymers useful as additives therein and methods of making the polymers ROHM AND HAAS COMPANY (US) 1984-07-18 EP disclosed
US-4098844-A ADDITION COPOLYMER STABILIZED WITH AN ISOCYANATE-CONTAINING POLYMER DAI NIPPON TORYO CO., LTD. (JP) 1978-07-04 US disclosed
US-3972847-A PEROXIDES DYNAMIT NOBEL AKTIENGESELLSCHAFT (DT) 1976-08-03 US disclosed