Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL16112378

CC(C)C[C@H](NC(=O)c1ccc(NCc2cnc[nH]2)cc1-c1cccc2ccccc12)C(=O)O.O=C(O)C(F)(F)F

nearest known ligand 0.91

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Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
FNTA P49354 18/20 0.91
FNTB P49356 16/20 0.91
PGGT1B P53609 15/20 0.91
TDP1 Q9NUW8 1/20 0.50
BCL2L1 Q07817 1/20 0.42

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
SCHEMBL17548973 0.95 FNTA (1.00) FNTAFNTBPGGT1BTDP1BCL2L1
SCHEMBL29394726 0.95 FNTA (1.00) FNTAFNTBPGGT1BTDP1BCL2L1
SCHEMBL16111812 0.95 FNTA (1.00) FNTAFNTBPGGT1BTDP1BCL2L1
SCHEMBL17548974 0.88 FNTA (0.85) FNTAFNTBPGGT1BTDP1
SCHEMBL31002996 0.88 FNTA (0.85) FNTAFNTBPGGT1BTDP1
Trifluoroacetic Acid SCHEMBL1396830 0.85 FNTA (0.71) FNTAFNTBPGGT1BTDP1BCL2L1
Trifluoroacetic Acid SCHEMBL20564403 0.85 FNTA (0.71) FNTAFNTBPGGT1BTDP1BCL2L1
Trifluoroacetic Acid SCHEMBL21933140 0.85 FNTA (0.71) FNTAFNTBPGGT1BTDP1BCL2L1
Trifluoroacetic Acid SCHEMBL31561401 0.85 FNTA (0.71) FNTAFNTBPGGT1BTDP1BCL2L1
SCHEMBL6781382 0.81 FNTA (1.00) FNTAFNTBPGGT1BTDP1BCL2L1

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
WO-2014160729-A1 COMPOSITION AND METHOD FOR TREATING CANCER CELLWORKS RESEARCH INDIA PVT. LTD (IN) 2014-10-02 WO disclosed