SCHEMBL31543772

SCHEMBL31543772

FC(F)(F)c1cc(-c2cccc3cc4ccccc4c(-c4c5ccccc5cc5ccccc45)c23)cc(C(F)(F)F)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CES1 P23141 1/20 0.49
▸ CYP1A2 P05177 3/20 0.37
▸ HPGD P15428 2/20 0.37
▸ ERBB2 P04626 1/20 0.37
▸ FYN P06241 1/20 0.37
▸ MAOA P21397 1/20 0.37
▸ ACHE P22303 1/20 0.37
▸ AHR P35869 1/20 0.37
▸ ALDH1A1 P00352 1/20 0.37
▸ TSHR P16473 1/20 0.37
▸ MAPK1 P28482 1/20 0.37
▸ CASP1 P29466 1/20 0.37
▸ HIF1A Q16665 1/20 0.37
▸ HSD17B10 Q99714 1/20 0.37
▸ L3MBTL1 Q9Y468 1/20 0.37
▸ ANPEP P15144 1/20 0.36
▸ NQO2 P16083 1/20 0.36
▸ PARP1 P09874 1/20 0.36
▸ TDP1 Q9NUW8 1/20 0.35
▸ HTR1A P08908 1/20 0.35

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
SCHEMBL31139510 0.98 CES1 (0.50) CES1CYP1A2HPGDERBB2FYN
SCHEMBL28990985 0.85 CES1 (0.49) CES1CYP1A2HPGDERBB2FYN
SCHEMBL24038260 0.81 ALOX5 (0.46) CYP1A2ALDH1A1TSHRNQO2TDP1
SCHEMBL7705812 0.79 CYP1A2 (0.43) CYP1A2HPGDHTR1AHTR7CYP1A1
SCHEMBL24605177 0.79 CYP1A2 (0.42) CES1CYP1A2ERBB2FYNMAOA
SCHEMBL13268400 0.78 CNR1 (0.39) CES1CYP1A2HPGDALDH1A1TSHR
SCHEMBL31230608 0.78 CYP1A1 (0.40) CYP1A2HPGDALDH1A1ANPEPTDP1
SCHEMBL24605292 0.77 CYP1A2 (0.41) CES1CYP1A2HPGDERBB2FYN
SCHEMBL21358003 0.76 CES1 (0.56) CES1CYP1A2HPGDERBB2FYN
SCHEMBL18665805 0.76 CYP11B1 (0.49) HPGDALDH1A1TDP1CYP11B1CYP11B2

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
CN-115050915-B Organic electroluminescent device 长春海谱润斯科技股份有限公司 2025-05-02 — — CN disclosed
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