SCHEMBL21114904

SCHEMBL21114904

CC(C)(C)c1cc(F)cc(C=O)c1O

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 8/20 0.58
PTGS1 P23219 1/20 0.45
PTGS2 P35354 1/20 0.45
GLRA3 O75311 1/20 0.44
GLRB P48167 1/20 0.44
GABBR2 O75899 2/20 0.43
GABBR1 Q9UBS5 2/20 0.43
ALDH1A1 P00352 3/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
USP2 O75604 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2D6 P10635 1/20 0.42
MAPT P10636 1/20 0.42
TSHR P16473 1/20 0.42
MAPK1 P28482 1/20 0.42
BLM P54132 1/20 0.42
ATM Q13315 1/20 0.42
HIF1A Q16665 1/20 0.42

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
SCHEMBL30222051 0.81 ERN1 (0.47) ERN1GLRA3GLRBGABBR2GABBR1
SCHEMBL207854 0.81 ERN1 (0.47) ERN1GLRA3GLRBGABBR2GABBR1
SCHEMBL28686976 0.80 ERN1 (0.78) ERN1
SCHEMBL2320419 0.80 CA2 (0.64) PTGS1PTGS2GLRA3GLRBGABBR2
SCHEMBL29467329 0.79 ALOX5 (0.49) ERN1PTGS2GLRA3GLRBGABBR2
SCHEMBL187267 0.79 ALOX5 (0.49) ERN1PTGS2GLRA3GLRBGABBR2
SCHEMBL29850401 0.79 GABBR2 (0.53) ERN1PTGS1PTGS2GLRA3GLRB
SCHEMBL29467330 0.79 ALOX5 (0.49) ERN1PTGS2GLRA3GLRBGABBR2
SCHEMBL30554385 0.79 CA2 (0.59) ERN1GLRA3GLRBGABBR2GABBR1
SCHEMBL30646074 0.79 ERN1 (0.67) ERN1PTGS1PTGS2GLRA3GLRB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111943973-B Bimetallic complex of phenoxyimine ligand framework, preparation method and application 万华化学集团股份有限公司 2023-06-09 CN claimed
CN-111943973-A Bimetallic complex of phenoxy imine ligand skeleton, preparation method and application 万华化学集团股份有限公司 2020-11-17 CN claimed
US-20230312815-A1 SYNTHESIS OF POLYMERS FROM CYCLIC DIOLIDES COLORADO STATE UNIVERSITY RESEARCH FOUNDATION (US) 2023-10-05 US disclosed
US-11629223-B2 Synthesis of polymers from cyclic diolides COLORADO STATE UNIVERSITY RESEARCH FOUNDATION (US) 2023-04-18 US disclosed
US-11260379-B2 Catalysts and methods for epoxide-based polymerizations CORNELL UNIVERSITY (US) 2022-03-01 US disclosed
US-20210206912-A1 SYNTHESIS OF POLYMERS FROM CYCLIC DIOLIDES COLORADO STATE UNIVERSITY RESEARCH FOUNDATION (US) 2021-07-08 US disclosed
US-10954335-B2 Synthesis of crystalline polymers from cyclic diolides COLORADO STATE UNIVERSITY RESEARCH FOUNDATION (US) 2021-03-23 US disclosed
US-20200384450-A1 CATALYSTS AND METHODS FOR EPOXIDE-BASED POLYMERIZATIONS CORNELL UNIVERSITY 2020-12-10 US disclosed
US-20200384450-A1 CATALYSTS AND METHODS FOR EPOXIDE-BASED POLYMERIZATIONS CORNELL UNIVERSITY 2020-12-10 US disclosed
CN-111943973-A Bimetallic complex of phenoxy imine ligand skeleton, preparation method and application 万华化学集团股份有限公司 2020-11-17 CN disclosed
US-20190211144-A1 SYNTHESIS OF CRYSTALLINE POLYMERS FROM CYCLIC DIOLIDES COLORADO STATE UNIVERSITY RESEARCH FOUNDATION (US) 2019-07-11 US disclosed