SCHEMBL9580899

SCHEMBL9580899

C=C(C)C(=O)NC(F)(F)C(F)(F)C(F)(F)C(F)(F)F

nearest known ligand 0.32

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
THRB P10828 1/20 0.32
ALDH1A1 P00352 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
SCHEMBL9056500 0.98 THRB (0.35) THRB
SCHEMBL2829462 0.78 ALDH1A1 (0.32) ALDH1A1
SCHEMBL27898519 0.76 ALDH1A1 (0.38) ALDH1A1
SCHEMBL28533180 0.76 THRB (0.41) THRBALDH1A1
SCHEMBL2828712 0.75 ALDH1A1 (0.36) ALDH1A1
SCHEMBL2828941 0.73 POLB (0.36) ALDH1A1
Perflubutane SCHEMBL5248074 0.72 THRB (0.46) THRBALDH1A1
SCHEMBL13146825 0.71 CA2 (0.39)
Methacrylic Acid SCHEMBL31316646 0.70 THRB (0.50) THRBALDH1A1
SCHEMBL6721899 0.70 THRB (0.39) THRB

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-5194556-A Macromolecular monomer derived from polysiloxane copolymerized with fluoroacrylate CIBA-GEIGY CORPORATION (US) 1993-03-16 US disclosed