SCHEMBL25122169

SCHEMBL25122169

FC(F)(F)c1ccc(C(c2ccc(C(F)(F)F)cc2)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)cc1

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 1/20 0.47
CYP11B2 P19099 1/20 0.47
IDO1 P14902 1/20 0.42
TDO2 P48775 1/20 0.42
CES2 O00748 2/20 0.41
CES1 P23141 2/20 0.41
PDE2A O00408 1/20 0.40
CNR1 P21554 3/20 0.40
ACP3 P15309 1/20 0.39
ALDH1A1 P00352 1/20 0.39
TSHR P16473 1/20 0.39
KIF11 P52732 4/20 0.38
ORAI1 Q96D31 1/20 0.37
ORAI2 Q96SN7 1/20 0.37
ORAI3 Q9BRQ5 1/20 0.37
TRPV6 Q9H1D0 1/20 0.37
MGLL Q99685 1/20 0.37

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
SCHEMBL2493440 0.88 CES2 (0.48) CES2CES1PDE2AACP3ALDH1A1
SCHEMBL4089231 0.88 CES2 (0.44) CYP19A1CYP11B2IDO1TDO2CES2
SCHEMBL13699660 0.88 ESR1 (0.42) CYP19A1CYP11B2IDO1TDO2CES2
SCHEMBL13925398 0.88 CYP19A1 (0.40) CYP19A1CYP11B2IDO1TDO2CES2
SCHEMBL22278541 0.81 SLC2A1 (0.49) CYP19A1CYP11B2IDO1TDO2ALDH1A1
SCHEMBL20465824 0.77 PDE2A (0.44) CES2CES1PDE2AACP3ALDH1A1
SCHEMBL22402545 0.77 TRPV1 (0.46) CES2CES1PDE2AACP3ALDH1A1
SCHEMBL31409220 0.77 KIF11 (0.64) IDO1CES2CES1PDE2ACNR1
SCHEMBL26438529 0.77 KIF11 (0.64) CYP19A1CES2CES1ACP3TSHR
SCHEMBL28717752 0.77 BRD4 (0.41) CES2CES1PDE2ACNR1ACP3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023054126-A1 ACTINIC RAY-SENSITIVE OR RADIATION-SENSITIVE RESIN COMPOSITION, ACTINIC RAY-SENSITIVE OR RADIATION-SENSITIVE FILM, PATTERN-FORMING METHOD AND ELECTRONIC DEVICE MANUFACTURING METHOD 富士フイルム株式会社 2023-04-06 WO disclosed