SCHEMBL464959

SCHEMBL464959

CC(C)(C)OOC(C)(CC(=O)O)OOC(C)(C)C

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HMGCR P04035 1/20 0.46
CHRM1 P11229 1/20 0.46
TBXA2R P21731 1/20 0.46
ADRA1A P35348 1/20 0.46
TSHR P16473 5/20 0.44
CYP2C19 P33261 2/20 0.44
HIF1A Q16665 2/20 0.44
CYP2D6 P10635 1/20 0.44
TDP1 Q9NUW8 3/20 0.40
KDM4E B2RXH2 1/20 0.39
FFAR1 O14842 1/20 0.39
CPT2 P23786 1/20 0.39
ALDH1A1 P00352 2/20 0.35
HSD17B10 Q99714 1/20 0.33
FFAR3 O14843 1/20 0.30

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
Acetic Acid SCHEMBL25274821 0.95 HMGCR (0.42) HMGCRCHRM1TBXA2RADRA1ATSHR
SCHEMBL11305851 0.89 HMGCR (0.38) HMGCRCHRM1TBXA2RADRA1ATSHR
1,6-Hexanediol SCHEMBL11320508 0.88 TDP1 (0.44) HMGCRCHRM1TBXA2RADRA1ATSHR
Glycerin SCHEMBL11309634 0.86 CYP2C19 (0.39) HMGCRCHRM1TBXA2RADRA1ATSHR
Di(Hydroxyethyl)Ether SCHEMBL11309228 0.86 TSHR (0.37) HMGCRCHRM1TBXA2RADRA1ATSHR
SCHEMBL11299673 0.80 HMGCR (0.46) HMGCRCHRM1TBXA2RADRA1ATSHR
SCHEMBL529864 0.79 HMGCR (0.41) HMGCRCHRM1TBXA2RADRA1ATSHR
SCHEMBL9147630 0.78 TSHR (0.38) TSHRTDP1
SCHEMBL9146934 0.78 TSHR (0.42) TSHRTDP1KDM4EALDH1A1HSD17B10
SCHEMBL464934 0.76 NAALAD2 (0.41) HMGCRCHRM1TBXA2RADRA1ATSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4437040-B1 MOULDED ARTICLE BASED ON FLAME RETARDANT ELASTOMER COMPOSITION FOR THE FIRE PROTECTION , PROCESS FOR ITS PRODUCTION AND CORRESPONDING MOULDED ARTICLES HILTI AG (LI) 2025-07-30 EP claimed
WO-2024062201-A1 COMPOSITION COMPRISING AT LEAST ONE DIALKYL OR PEROXYKETAL PEROXIDE AND AT LEAST ONE UNSATURATED ORGANIC PEROXIDE ARKEMA FRANCE (FR) 2024-03-28 WO claimed
EP-3065944-B1 MODIFICATION OF POLYAMIDES ARKEMA INC (US) 2022-01-19 EP claimed
EP-3541633-B1 TIRE COMPRISING A TREAD COMPRISING A THERMOPLASTIC ELASTOMER AND A CROSSLINKING SYSTEM BASED ON ONE OR MORE PEROXIDES MICHELIN & CIE (FR) 2020-12-30 EP claimed
EP-3360927-B1 PHA COMPOSITIONS COMPRISING PBS AND PBSA AND METHOD FOR PRODUCING THE COMPOSITIONS CJ CHEILJEDANG CORP (KR) 2020-09-09 EP claimed
WO-2019173062-A1 REDUCED PERMEABILITY MICROCAPSULES TRUCAPSOL, LLC (US) 2019-09-12 WO claimed
EP-2571936-B1 TOUGHENING POLYLACTIC ACID WITH POLYHYDROXYALKANOATES CJ CHEILJEDANG CORP (KR) 2019-02-06 EP claimed
EP-3002312-B1 CURABLE COMPOSITIONS REICHHOLD LLC 2 (US) 2018-08-29 EP claimed
EP-3036281-B1 TIN-FREE COMPOSITION FOR CROSSLINKING THERMOPLASTIC POLYOLEFINES EVONIK DEGUSSA GMBH (DE) 2018-06-20 EP claimed
EP-2010575-B1 PROCESS OF FREE-RADICAL POLYMERIZATION OR CROSSLINKING IN THE PRESENCE OF A SELECTED ORGANIC PEROXIDE PREPARED BY AN EX SITU PROCESS ARKEMA FRANCE (FR) 2015-07-01 EP claimed
EP-0768156-B1 Process for polymer degradation UNION CARBIDE CHEM PLASTIC (US) 2002-08-21 EP claimed
EP-0737696-B1 Process for preparing styrene-butadiene rubber GOODYEAR TIRE & RUBBER (US) 1999-08-18 EP claimed
EP-0728796-B1 Process for improving processability of ultra low melt viscosity polymer SHELL OIL CO (US) 1999-07-07 EP claimed
WO-1999010399-A1 CHEMICAL THICKENERS REICHHOLD, INC. (US) 1999-03-04 WO claimed
US-5798435-A INCLUDES EPOXIDIZED SOYBEAN OIL RESIDUES CARGILL, INCORPORATED (US) 1998-08-25 US claimed
EP-0504920-B1 Scorch retarding curing/crosslinking compositions ATOCHEM NORTH AMERICA ELF (US) 1998-07-08 EP claimed
EP-0423639-B1 Peroxide masterbatches using polycaprolactone as the carrier ATOCHEM NORTH AMERICA (US) 1995-09-20 EP claimed
EP-0068510-B1 THERMOSETTING MOLDING COMPOSITIONS UNION CARBIDE CORPORATION (US) 1987-09-09 EP claimed
EP-0214361-A2 Scorch resistant, crosslinkable composition containing mixture of copper and metal dithiocarbamates ATOCHEM NORTH AMERICA, INC. (a Pennsylvania corp.) (US) 1987-03-18 EP claimed
EP-0097307-A2 Thermo-chemically cross-linked poly(p-methylstyrene) and process to obtain it AMERICAN HOECHST CORPORATION (US) 1984-01-04 EP claimed