SCHEMBL22159396

SCHEMBL22159396

FC(c1ccc(C(F)C(F)(F)C(F)(F)F)cc1)C(F)(F)C(F)(F)F

nearest known ligand 0.38

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 2/20 0.38
ESR2 Q92731 2/20 0.38
PDE2A O00408 1/20 0.32

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
SCHEMBL10578908 0.90 IDO1 (0.38) ESR1ESR2
SCHEMBL3130888 0.88 TSHR (0.48) ESR1ESR2
SCHEMBL10821953 0.88 ESR1 (0.32) ESR1ESR2
SCHEMBL28507546 0.88 CHRNA7 (0.38) ESR1ESR2PDE2A
SCHEMBL320072 0.88 ESR1 (0.54) ESR1ESR2
SCHEMBL323076 0.88 ALDH1A1 (0.37) ESR1ESR2PDE2A
SCHEMBL8462292 0.88 ESR1 (0.54) ESR1ESR2
SCHEMBL6516945 0.88 CYP2A6 (0.36) ESR1ESR2
SCHEMBL7870015 0.87 POLB (0.39)
SCHEMBL9013403 0.82 ALDH1A1 (0.44)

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
US-20200209742-A1 METHOD OF PRODUCING MICROSTRUCTURE AND METHOD OF PRODUCING LIQUID EJECTION HEAD CANON KABUSHIKI KAISHA (JP) 2020-07-02 US disclosed