Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL18038285

O=C(O)C(F)(F)F.c1cc(-c2ncco2)cc(-c2nnc(Nc3ccc4[nH]ncc4c3)s2)c1

nearest known ligand 0.63

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Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ ROCK1 Q13464 15/20 0.63
▸ ROCK2 O75116 13/20 0.63

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
SCHEMBL20023284 0.91 ROCK2 (0.67) ROCK1ROCK2
SCHEMBL29664352 0.91 ROCK2 (0.67) ROCK1ROCK2
Trifluoroacetic Acid SCHEMBL18038293 0.84 ROCK1 (0.64) ROCK1ROCK2
Trifluoroacetic Acid SCHEMBL18038237 0.84 ROCK2 (0.68) ROCK1ROCK2
Trifluoroacetic Acid SCHEMBL18038261 0.81 ROCK1 (0.71) ROCK1ROCK2
Trifluoroacetic Acid SCHEMBL18038151 0.80 ROCK1 (0.72) ROCK1ROCK2
Trifluoroacetic Acid SCHEMBL18038203 0.79 ROCK2 (0.85) ROCK1ROCK2
Trifluoroacetic Acid SCHEMBL18038250 0.78 ROCK1 (0.65) ROCK1ROCK2
Trifluoroacetic Acid SCHEMBL18038166 0.78 ROCK1 (0.62) ROCK1ROCK2
Trifluoroacetic Acid SCHEMBL18038239 0.78 ROCK1 (0.66) ROCK1ROCK2

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
EP-3262041-A1 INDAZOLYL THIADIAZOLAMINES AND RELATED COMPOUNDS FOR INHIBITION OF RHO-ASSOCIATED PROTEIN KINASE AND THE TREATMENT OF DISEASE Lycera Corporation (US) 2018-01-03 — — EP disclosed
WO-2016138335-A1 INDAZOLYL THIADIAZOLAMINES AND RELATED COMPOUNDS FOR INHIBITION OF RHO-ASSOCIATED PROTEIN KINASE AND THE TREATMENT OF DISEASE LYCERA CORPORATION (US) 2016-09-01 — — WO disclosed
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