Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL9614812

CC(C)[C@H](NC(=O)[C@H](CC(=O)O)NC(=O)/C=C/CCCCCCNC(=N)N)C(=O)O.O=C(O)C(F)(F)F

nearest known ligand 0.37

Full drug profile on Sugi Atlas →

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ITGB1 P05556 1/20 0.37
ITGA4 P13612 1/20 0.37
EPHX2 P34913 12/20 0.37
NPY4R P50391 3/20 0.36
SMN1; SMN2 Q16637 1/20 0.33
CTSB P07858 1/20 0.33

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
SCHEMBL7448695 0.94 EPHX2 (0.40) EPHX2SMN1; SMN2CTSB
SCHEMBL7445645 0.94 EPHX2 (0.40) EPHX2SMN1; SMN2CTSB
SCHEMBL7434185 0.94 EPHX2 (0.40) EPHX2SMN1; SMN2CTSB
Trifluoroacetic Acid SCHEMBL9614798 0.87 EPHX2 (0.41) ITGB1ITGA4EPHX2NPY4RSMN1; SMN2
Trifluoroacetic Acid SCHEMBL9614806 0.84 NPY4R (0.49) ITGB1ITGA4EPHX2NPY4R
Trifluoroacetic Acid SCHEMBL9614791 0.84 NPY4R (0.49) ITGB1ITGA4EPHX2NPY4R
Trifluoroacetic Acid SCHEMBL9614815 0.84 NPY4R (0.49) ITGB1ITGA4EPHX2NPY4R
Trifluoroacetic Acid SCHEMBL9614803 0.83 NPY4R (0.48) ITGB1ITGA4EPHX2NPY4RSMN1; SMN2
Trifluoroacetic Acid SCHEMBL9614799 0.81 ITGB1 (0.38) ITGB1ITGA4EPHX2NPY4RSMN1; SMN2
Trifluoroacetic Acid SCHEMBL9756339 0.81 NPY4R (0.40) ITGB1ITGA4NPY4RSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0494248-A4 ANTI-THROMBOTIC PEPTIDES AND PSEUDOPEPTIDES 1992-08-26 EP claimed
EP-0494248-A1 ANTI-THROMBOTIC PEPTIDES AND PSEUDOPEPTIDES RHONE-POULENC RORER INTERNATIONAL (HOLDINGS) INC. (US) 1992-07-15 EP claimed
WO-1991004746-A1 ANTI-THROMBOTIC PEPTIDES AND PSEUDOPEPTIDES RHONE-POULENC RORER INTERNATIONAL (HOLDINGS) INC. (US) 1991-04-18 WO claimed
EP-0494248-A4 ANTI-THROMBOTIC PEPTIDES AND PSEUDOPEPTIDES 1992-08-26 EP disclosed
EP-0494248-A1 ANTI-THROMBOTIC PEPTIDES AND PSEUDOPEPTIDES RHONE-POULENC RORER INTERNATIONAL (HOLDINGS) INC. (US) 1992-07-15 EP disclosed
WO-1991004746-A1 ANTI-THROMBOTIC PEPTIDES AND PSEUDOPEPTIDES RHONE-POULENC RORER INTERNATIONAL (HOLDINGS) INC. (US) 1991-04-18 WO disclosed