SCHEMBL9431019

SCHEMBL9431019

CCSC(=O)C(Cl)C(F)F

nearest known ligand 0.42

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.42
TSHR P16473 1/20 0.31
MAPK1 P28482 1/20 0.31
KDM4E B2RXH2 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
TDP1 Q9NUW8 1/20 0.30

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
SCHEMBL11249511 0.75
SCHEMBL11000228 0.73
SCHEMBL1925477 0.73
SCHEMBL2209517 0.67
SCHEMBL10969328 0.67
SCHEMBL11671506 0.65 ALDH1A1 (0.43) ALDH1A1TSHRMAPK1KDM4ESMN1; SMN2
SCHEMBL11670290 0.64
SCHEMBL1359748 0.64
SCHEMBL28633536 0.62 HCAR2 (0.36) ALDH1A1TSHRKDM4ETDP1
SCHEMBL11068033 0.62 ALDH1A1 (0.40) ALDH1A1TSHRMAPK1KDM4ESMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5283337-A Reacting reducing agent, disulfide, perhaloalkyl halide RHONE-POULENC AGROCHIMIE (FR) 1994-02-01 US disclosed
US-5082945-A Reducing agent, perfluoroalkyl halide, disulfide RHONE-POULENC AGROCHIMIE (FR) 1992-01-21 US disclosed