SCHEMBL784657

SCHEMBL784657

COC(C)(OC)OC(C)=O

nearest known ligand 0.44

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.44
ALDH1A1 P00352 3/20 0.42
TSHR P16473 2/20 0.35
DGAT1 O75907 1/20 0.33
CYP2D6 P10635 1/20 0.31
CYP2C9 P11712 1/20 0.31
CYP2C19 P33261 1/20 0.31

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
SCHEMBL2349129 0.79 DGAT1 (0.35) ALDH1A1DGAT1
SCHEMBL6939745 0.79 GAA (0.46) GAAALDH1A1TSHRCYP2D6CYP2C9
SCHEMBL298347 0.77
SCHEMBL2349134 0.77 ALDH1A1 (0.33) ALDH1A1TSHRDGAT1
SCHEMBL29111570 0.74 GAA (0.42) GAAALDH1A1TSHRDGAT1
SCHEMBL838346 0.74 GAA (0.42) GAAALDH1A1TSHR
SCHEMBL13003089 0.74 GAA (0.42) GAAALDH1A1TSHRDGAT1
Hydrochloric Acid SCHEMBL6486449 0.74 DGAT1 (0.32) ALDH1A1TSHRDGAT1
SCHEMBL783750 0.73 ALDH1A1 (0.44) GAAALDH1A1TSHR
SCHEMBL1884143 0.72 HCAR2 (0.46) DGAT1

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 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114380781-A Preparation method of 2-cyano-8-nitro-4-oxo-4H-1-benzopyran 南京焕然生物科技有限公司 2022-04-22 CN claimed
CN-101463106-B Copolymer film forming resin containing benzoxazine structure and deep UV negativity chemical amplification type photo resist CHENGDU JINJIANG HI TECH MATERIAL CO LTD 2010-07-28 CN claimed
CN-101463106-A Copolymer film forming resin containing benzoxazine structure and deep UV negativity chemical amplification type photo resist CHENGDU JINJIANG HI TECH MATER (CN) 2009-06-24 CN claimed
CN-117203181-A Halogenated cyclopropanation process 科迪华农业科技有限责任公司 2023-12-08 CN disclosed
CN-114380781-A Preparation method of 2-cyano-8-nitro-4-oxo-4H-1-benzopyran 南京焕然生物科技有限公司 2022-04-22 CN disclosed
CN-113825398-A Pyridazinone compounds and herbicides 日产化学株式会社 2021-12-21 CN disclosed
WO-2020020377-A1 FUSED RING DERIVATIVE USED AS FGFR4 INHIBITOR 北京加科思新药研发有限公司 2020-01-30 WO disclosed
CN-106687434-A Improved catalytic performance in a process for the production of acetic acid 英国石油化学品有限公司 2017-05-17 CN disclosed
US-20120070730-A1 NONAQUEOUS ELECTROLYTE AND NONAQUEOUS ELECTROLYTE BATTERY SONY CORPORATION (JP) 2012-03-22 US disclosed
US-20120070730-A1 NONAQUEOUS ELECTROLYTE AND NONAQUEOUS ELECTROLYTE BATTERY SONY CORPORATION (JP) 2012-03-22 US disclosed
CN-101463106-B Copolymer film forming resin containing benzoxazine structure and deep UV negativity chemical amplification type photo resist CHENGDU JINJIANG HI TECH MATERIAL CO LTD 2010-07-28 CN disclosed
CN-101463106-A Copolymer film forming resin containing benzoxazine structure and deep UV negativity chemical amplification type photo resist CHENGDU JINJIANG HI TECH MATER (CN) 2009-06-24 CN disclosed