SCHEMBL902070

SCHEMBL902070

COC(=O)C1(C(=O)O)CCCCC1

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 1/20 0.47
MAPT P10636 1/20 0.40
CYP4F2 P78329 1/20 0.39
CYP4A11 Q02928 1/20 0.39
CYP3A4 P08684 2/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
ALDH1A1 P00352 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
LMNA P02545 1/20 0.37
TSHR P16473 1/20 0.36
CYP2C19 P33261 1/20 0.35
FFAR3 O14843 1/20 0.33
KDM4E B2RXH2 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
SCHEMBL7440708 1.00 NPSR1 (0.47) NPSR1MAPTCYP4F2CYP4A11CYP3A4
SCHEMBL9806701 1.00 NPSR1 (0.47) NPSR1MAPTCYP4F2CYP4A11CYP3A4
SCHEMBL5719495 0.98 NPSR1 (0.45) NPSR1MAPTCYP4F2CYP4A11CYP3A4
SCHEMBL3681568 0.98 NPSR1 (0.45) NPSR1MAPTCYP4F2CYP4A11CYP3A4
SCHEMBL757321 0.98 NPSR1 (0.48) NPSR1MAPTCYP4F2CYP4A11CYP3A4
SCHEMBL230257 0.93 NPSR1 (0.43) NPSR1MAPTCYP4F2CYP4A11CYP3A4
SCHEMBL594374 0.88 NPSR1 (0.52) NPSR1MAPTCYP4F2CYP4A11CYP3A4
SCHEMBL4870814 0.88 NPSR1 (0.52) NPSR1MAPTCYP4F2CYP4A11CYP3A4
SCHEMBL9806699 0.88 NPSR1 (0.52) NPSR1MAPTCYP4F2CYP4A11CYP3A4
SCHEMBL71320 0.88 NPSR1 (0.41) NPSR1MAPTCYP4F2CYP4A11CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117942859-A Three-phase fixed bed reactor and method for preparing cyclohexanedimethanol 中国石油化工股份有限公司 2024-04-30 CN claimed
CN-112717941-B Ester hydrogenation catalyst and preparation method and application thereof 中国石油化工股份有限公司 2023-08-29 CN claimed
CN-112569949-B Cyclohexane dimethanol catalyst, preparation method and application thereof 中国石油化工股份有限公司 2023-07-04 CN claimed
US-10800887-B2 Cross-linked polymers, methods for their manufacture, and use BASF SE (DE) 2020-10-13 US claimed
EP-3007902-B1 DATA PAGE FOR A SECURITY DOCUMENT AND/OR VALUE DOCUMENT BUNDESDRUCKEREI GMBH (DE) 2020-06-17 EP claimed
CN-110343413-A Nitrogen-phosphorus intumescent flame retardant and preparation method thereof in application of waterborne polyurethane coating 烟台大学 2019-10-18 CN claimed
US-20190153167-A1 CROSS-LINKED POLYMERS, METHODS FOR THEIR MANUFACTURE, AND USE BASF SE (DE) 2019-05-23 US claimed
CN-109776321-A Purification method and decolorization method of 1, 4-cyclohexane dimethyl phthalate crude product 中国石油天然气股份有限公司 2019-05-21 CN claimed
CN-106540704-B The method of hydrogenation catalyst and its preparation method and application and hydrogenation reaction 中国石油化工股份有限公司 2019-05-21 CN claimed
CN-109776271-A Purification method and decolorization method of 1, 4-cyclohexanedimethanol crude product 中国石油天然气股份有限公司 2019-05-21 CN claimed
CN-1380282-A Catalyst for hydrogenation of dimethyl terephthalate to produce 1,4-dimethyl hexahydrophthalate and its preparation method TIANJIN BRANCH COMPANY ACADEMY (CN) 2002-11-20 CN claimed
CN-1075399-C Catalyst composition and its use in hydrogenating carboxylic acid esters EASTMAN CHEMICAL (US) 2001-11-28 CN claimed
CN-1042327-C Low pressure process for the hydrogenation of dimethyl benzenedicarboxylates to the corresponding dimethyl cyclohexanedicarboxylates EASTMAN CHEM CO (US) 1999-03-03 CN claimed
CN-1042326-C Preparation of dimethyl cyclohexanedicarboxylates EASTMAN CHEM CO (US) 1999-03-03 CN claimed
EP-0656341-B1 Process for the production of cyclohexanedimethanol EASTMAN CHEM CO (US) 1998-04-22 EP claimed
CN-1124933-A Catalyst compositions and the use thereof in the hydrogenation of carboxylic acid esters EASTMAN CHEM CO (US) 1996-06-19 CN claimed
EP-0656341-A1 Process for the production of cydohexanedimethanol EASTMAN CHEMICAL COMPANY (US) 1995-06-07 EP claimed
US-5414159-A Hydrogenation of dialkyl cyclohexanedicarboxylate to form cyclohexanedimethanol EASTMAN CHEMICAL COMPANY (US) 1995-05-09 US claimed
CN-1099745-A Low pressure process for the hydrogenation of dimethyl benzenedicarboxylates to the corresponding dimethyl cyclohexanedicarboxylates EASTMAN CHEM CO (US) 1995-03-08 CN claimed
CN-1099382-A Preparation of dimethyl cyclohexanedicarboxylates EASTMAN CHEM CO (US) 1995-03-01 CN claimed