Sugi Predict

Sugi Predict / Compounds / Trifluoroacetic Acid

Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL7603057

Cc1cc(C)cc(-c2[nH]c3cnc(C(C)(C)C(=O)N4CC5CCC4CC5)cc3c2C(C)CNCCc2ccc3[nH]nnc3c2)c1.O=C(O)C(F)(F)F

nearest known ligand 0.67

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Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ GNRHR P30968 20/20 0.67
▸ CYP3A4 P08684 3/20 0.67

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
Trifluoroacetic Acid SCHEMBL7643853 0.90 GNRHR (0.66) GNRHRCYP3A4
SCHEMBL7994591 0.87 GNRHR (0.69) GNRHRCYP3A4
SCHEMBL7994589 0.87 GNRHR (0.69) GNRHRCYP3A4
SCHEMBL7649173 0.86 GNRHR (0.71) GNRHRCYP3A4
SCHEMBL7993141 0.86 GNRHR (0.71) GNRHRCYP3A4
SCHEMBL7643850 0.86 GNRHR (0.66) GNRHRCYP3A4
SCHEMBL13812077 0.84 GNRHR (0.67) GNRHRCYP3A4
SCHEMBL7638040 0.84 GNRHR (0.81) GNRHRCYP3A4
SCHEMBL13692916 0.79 GNRHR (0.87) GNRHRCYP3A4
SCHEMBL1535425 0.78 GNRHR (1.00) GNRHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1165076-A4 6-AZAINDOLE COMPOUNDS AS ANTAGONISTS OF GONADOTROPIN RELEASING HORMONE MERCK & CO INC (US) 2002-05-15 — — EP disclosed
EP-1165076-A1 6-AZAINDOLE COMPOUNDS AS ANTAGONISTS OF GONADOTROPIN RELEASING HORMONE Merck & Co., Inc. (US) 2002-01-02 — — EP disclosed
WO-2000053181-A1 6-AZAINDOLE COMPOUNDS AS ANTAGONISTS OF GONADOTROPIN RELEASING HORMONE MERCK & CO., INC. (US) 2000-09-14 — — WO disclosed