SCHEMBL9065939

SCHEMBL9065939

CCC(C)C1CCC(c2cc(Br)c(O)c(Br)c2)(c2cc(Br)c(O)c(Br)c2)CC1

nearest known ligand 0.33

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ACHE P22303 1/20 0.33
ALDH1A1 P00352 1/20 0.31
CYP2D6 P10635 1/20 0.31
CYP2C9 P11712 1/20 0.31
HSD17B10 Q99714 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
SCHEMBL9065670 0.84 ACHE (0.36) ACHEALDH1A1CYP2D6CYP2C9HSD17B10
SCHEMBL9065737 0.82 ACHE (0.33) ACHECYP2D6CYP2C9HSD17B10
SCHEMBL9066280 0.77 ESR2 (0.47) ACHECYP2D6CYP2C9
SCHEMBL9074622 0.77 ACHE (0.33) ACHEALDH1A1
SCHEMBL9066283 0.76 ALDH1A1 (0.40) ACHEALDH1A1CYP2D6CYP2C9HSD17B10
SCHEMBL9073269 0.73 KDM4E (0.36) ACHEALDH1A1CYP2D6CYP2C9HSD17B10
SCHEMBL9075093 0.72 TSHR (0.40) ACHEALDH1A1CYP2D6CYP2C9HSD17B10
SCHEMBL9074624 0.71 ACHE (0.41) ACHEALDH1A1CYP2D6CYP2C9HSD17B10
SCHEMBL9075884 0.71 ACHE (0.36) ACHEALDH1A1CYP2D6CYP2C9HSD17B10
SCHEMBL9066194 0.70 CYP2D6 (0.41) ACHEALDH1A1CYP2D6CYP2C9HSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0469403-B1 High molecular weight polyester based on 1,1-bis-(4-hydroxyphenyl)-alkylcycloalkanes and thermoplastic blends thereof BAYER AG (DE) 1996-02-28 EP disclosed
EP-0469404-B1 Polyestercarbonates based on 1,1-bis-(4-hydroxyphenyl)-alkylcycloalkanes and thermoplastic blends thereof BAYER AG (DE) 1996-02-28 EP disclosed
EP-0469404-A2 Polyestercarbonates based on 1,1-bis-(4-hydroxyphenyl)-alkylcycloalkanes and thermoplastic blends thereof BAYER AG (DE) 1992-02-05 EP disclosed
EP-0469403-A2 High molecular weight polyester based on 1,1-bis-(4-hydroxyphenyl)-alkylcycloalkanes and thermoplastic blends thereof BAYER AG (DE) 1992-02-05 EP disclosed
US-5034457-A Polycarbonate for use in molding materials for laminated films and for electronics BAYER AKTIENGESELLSCHAFT (DE) 1991-07-23 US disclosed
EP-0387593-A2 Thermoplastic alloys of polycarbonates based on substituted cyclohexylidenbisphenols BAYER AG (DE) 1990-09-19 EP disclosed
EP-0374656-A2 Polycarbonates from alkyl cyclohexylidene diphenols BAYER AG (DE) 1990-06-27 EP disclosed