SCHEMBL21101039

SCHEMBL21101039

C=Cc1ccc(COC(C(F)(F)F)C(F)(F)S(=O)(=O)O)cc1

nearest known ligand 0.39

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.39
KMT2A Q03164 1/20 0.31
PTPRZ1 P23471 1/20 0.31
ALDH1A1 P00352 1/20 0.31
CA2 P00918 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
SCHEMBL13275281 0.85 ALDH1A1 (0.39) ALDH1A1
SCHEMBL2742164 0.78 TDP1 (0.35) TDP1KMT2A
SCHEMBL21093395 0.76 TDP1 (0.40) TDP1ALDH1A1
SCHEMBL18104510 0.76 NPC1 (0.38) TDP1KMT2AALDH1A1
SCHEMBL2886501 0.75 TDP1 (0.39) TDP1ALDH1A1CA2
SCHEMBL9551524 0.73 TDP1 (0.40) TDP1ALDH1A1
SCHEMBL16140249 0.73 CA1 (0.41) TDP1KMT2AALDH1A1CA2
SCHEMBL26362800 0.73 ALDH1A1 (0.37) KMT2AALDH1A1CA2
SCHEMBL2742168 0.71 HTR2C (0.31)
SCHEMBL16687565 0.71 MEN1 (0.38) TDP1KMT2AALDH1A1CA2

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
EP-3495433-A1 CONDUCTIVE POLYMER COMPOSITION, COATED ARTICLE, AND PATTERNING PROCESS Shin-Etsu Chemical Co., Ltd. (JP) 2019-06-12 EP disclosed