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Sugi Predict / Compounds / Trifluoroacetic Acid

Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL5579646

CCCC(CCC)S(=O)(=O)C[C@H](NC(=O)CCc1ccccc1)C(=O)N(Cc1cccc(CC)c1)C[C@@H](O)[C@@H](N)Cc1cc(F)cc(F)c1.O=C(O)C(F)(F)F

nearest known ligand 0.48

Full drug profile on Sugi Atlas →

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ BACE1 P56817 20/20 0.48
▸ CTSB P07858 17/20 0.48
▸ CTSD P07339 3/20 0.35

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 SCHEMBL5122660 1.00 BACE1 (0.48) BACE1CTSBCTSD
SCHEMBL14131270 0.97 BACE1 (0.51) BACE1CTSBCTSD
SCHEMBL5130202 0.97 BACE1 (0.51) BACE1CTSBCTSD
SCHEMBL5130207 0.97 BACE1 (0.51) BACE1CTSBCTSD
SCHEMBL14131303 0.91 BACE1 (0.51) BACE1CTSBCTSD
Trifluoroacetic Acid SCHEMBL5126515 0.90 BACE1 (0.49) BACE1CTSBCTSD
SCHEMBL5131016 0.90 BACE1 (0.52) BACE1CTSBCTSD
SCHEMBL5131019 0.90 BACE1 (0.52) BACE1CTSBCTSD
SCHEMBL5122664 0.89 BACE1 (0.44) BACE1CTSBCTSD
SCHEMBL5125032 0.89 BACE1 (0.51) BACE1CTSBCTSD

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-7294642-B2 1,3-Diamino-2-hydroxypropane pro-drug derivatives ELAN PHARMACEUTICALS, INC. (US) 2007-11-13 — — US disclosed