SCHEMBL252402

SCHEMBL252402

CC(C)(C)c1cccc2ccccc12

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 1/20 0.48
ALDH1A1 P00352 5/20 0.48
CYP2A6 P11509 4/20 0.48
CA2 P00918 2/20 0.48
TSHR P16473 4/20 0.46
TDP1 Q9NUW8 2/20 0.46
HSD17B10 Q99714 3/20 0.46
CYP1A2 P05177 4/20 0.42
CYP3A4 P08684 1/20 0.42
HPGD P15428 1/20 0.42
KEAP1 Q14145 1/20 0.42
HPRT1 P00492 1/20 0.42
GABRA1 P14867 1/20 0.41
GABRB2 P47870 1/20 0.41
ACP3 P15309 1/20 0.41
KDM4E B2RXH2 1/20 0.40
CA1 P00915 1/20 0.40
CA9 Q16790 1/20 0.40
CYP2D6 P10635 1/20 0.39
CYP2C19 P33261 1/20 0.39

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
SCHEMBL4818310 1.00 KIF11 (0.48) KIF11ALDH1A1CYP2A6CA2TSHR
SCHEMBL29972825 1.00 KIF11 (0.48) KIF11ALDH1A1CYP2A6CA2TSHR
SCHEMBL3779052 0.98 KIF11 (0.47) KIF11ALDH1A1CYP2A6CA2TSHR
SCHEMBL3779049 0.98 KIF11 (0.47) KIF11ALDH1A1CYP2A6CA2TSHR
Formaldehyde SCHEMBL28441436 0.93 KIF11 (0.44) KIF11ALDH1A1CYP2A6CA2TSHR
Formic Acid SCHEMBL27662627 0.88 CA2 (0.43) KIF11ALDH1A1CYP2A6CA2TSHR
SCHEMBL285919 0.87 HPRT1 (0.58) KIF11ALDH1A1CYP2A6CA2TSHR
SCHEMBL2015958 0.87 HPRT1 (0.58) KIF11ALDH1A1CYP2A6CA2TSHR
SCHEMBL28297056 0.85 ALDH1A1 (0.48) KIF11ALDH1A1CYP2A6CA2TSHR
Cyclobutanol SCHEMBL9815506 0.83 CA2 (0.39) KIF11ALDH1A1CA2TSHRTDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3601424-B1 FLAME-RETARDANT POLYAMIDE MOULDING MASSES BASF SE (DE) 2024-06-12 EP claimed
US-20240182685-A1 POLYAMIDE COMPOSITIONS ENVALIOR DEUTSCHLAND GMBH (DE) 2024-06-06 US claimed
CN-117756598-A Preparation method of 1- (tertiary butyl) -3-chloronaphthalene 中钢集团南京新材料研究院有限公司 2024-03-26 CN claimed
EP-4314144-A1 POLYAMIDE COMPOSITIONS LANXESS Deutschland GmbH (DE) 2024-02-07 EP claimed
EP-4314140-A1 POLYAMIDE COMPOSITIONS LANXESS Deutschland GmbH (DE) 2024-02-07 EP claimed
CN-117098802-A Polyamide composition 朗盛德国有限责任公司 2023-11-21 CN claimed
CN-117083331-A Polyamide composition 朗盛德国有限责任公司 2023-11-17 CN claimed
US-20230279221-A1 FLAME RETARDANT-STABILIZER COMBINATIONS FOR FLAME-RETARDANT POLYMERS HAVING IMPROVED HYDROLYSIS STABILITY AND USE THEREOF CLARIANT INTERNATIONAL LTD (CH) 2023-09-07 US claimed
WO-2023149690-A1 FLAME RETARDANT COMPOSITION COMPRISING METAL PHOSPHINATE-BASED FLAME RETARDANT, AND FLAME RETARDANT SYNTHETIC RESIN COMPOSITION TO WHICH SAME IS APPLIED 이정훈 2023-08-10 WO claimed
WO-2023146479-A1 A METHOD FOR PURIFICATION OF ORGANIC WATER-SOLUBLE POLYMERS FROM HYDROPHOBIC CONTAMINANTS USTAV EXPERIMENTALNEJ FYZIKY SLOVENSKEJ AKADEMIE VIED, VEREJNA VYSKUMNA INSTITUCIA (SK) 2023-08-03 WO claimed
US-6255371-B1 SYNERGISTIC MIXTURE OF PHOSPHINATES AND HIGHER MOLECULAR WEIGHT MELAMINE CONDENSATES AND/OR PHOSPHATES TO BE ADDED TO THERMOPLASTIC RESIN CLARIANT GMBH (DE) 2001-07-03 US claimed
US-5773556-A CONTAINING PHOSPHINIC OR DIPHOSPHINIC ACID SALTS TICONA GMBH (DE) 1998-06-30 US claimed
EP-0794220-A1 Mouldings of flame-retardant polyester moulding matter HOECHST AKTIENGESELLSCHAFT (DE) 1997-09-10 EP claimed
EP-0792912-A2 Flame retardant polyamide moulding compounds HOECHST AKTIENGESELLSCHAFT (DE) 1997-09-03 EP claimed
US-5268523-A Alkylation; zeolite catalyst CATALYTICA, INC. (US) 1993-12-07 US claimed
US-5254766-A Alkylation MITSUI PETROCHEMICAL INDUSTRIES, LTD. (JP) 1993-10-19 US claimed
EP-0484436-A4 SELECTIVE SORPTION OF DIALKYLATED MULTINUCLEAR AROMATIC COMPOUNDS 1993-04-07 EP claimed
EP-0484436-A1 SELECTIVE SORPTION OF DIALKYLATED MULTINUCLEAR AROMATIC COMPOUNDS CATALYTICA INC. (US) 1992-05-13 EP claimed
WO-1991001286-A1 SELECTIVE SORPTION OF DIALKYLATED MULTINUCLEAR AROMATIC COMPOUNDS CATALYTICA, INC. (US) 1991-02-07 WO claimed
US-4783438-A Partially pressure-sensitive recording paper KUREHA KAGAKU KOGYO KABUSHIKI KAISHA (JP) 1988-11-08 US claimed