Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL7444619

CC(C)COC(=O)[C@@H](N)CCCN.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F

nearest known ligand 0.40

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GSR P00390 1/20 0.40
▸ S1PR1 P21453 5/20 0.34
▸ S1PR3 Q99500 5/20 0.34
▸ S1PR2 O95136 4/20 0.34
▸ S1PR5 Q9H228 3/20 0.34
▸ ODC1 P11926 1/20 0.33
▸ CA12 O43570 2/20 0.32
▸ CA1 P00915 2/20 0.32
▸ CA2 P00918 2/20 0.32
▸ CA9 Q16790 2/20 0.32
▸ SMN1; SMN2 Q16637 2/20 0.32
▸ GAA P10253 1/20 0.32
▸ MAPK1 P28482 1/20 0.32
▸ NR1H3 Q13133 1/20 0.32
▸ HRH4 Q9H3N8 1/20 0.32
▸ HRH3 Q9Y5N1 1/20 0.32
▸ DPP4 P27487 1/20 0.32
▸ DPP8 Q6V1X1 1/20 0.32
▸ DPP9 Q86TI2 1/20 0.32
▸ DPP7 Q9UHL4 1/20 0.32

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
SCHEMBL19547628 0.89 GSR (0.44) GSRDPP4DPP8DPP9DPP7
SCHEMBL19547630 0.84 GSR (0.52) GSRDPP4DPP8DPP9DPP7
Ornithine Aketoglutarate SCHEMBL6265607 0.77 GSR (0.67) GSRBLMPMP22TSHR
Ornithine SCHEMBL6265609 0.77 GSR (0.67) GSRBLMPMP22TSHR
SCHEMBL14486200 0.75 GSR (0.59) GSRTSHR
Trifluoroacetic Acid SCHEMBL6225952 0.74 GABRR1 (0.48) GSRODC1SMN1; SMN2HRH4HRH3
SCHEMBL19547621 0.74 GSR (0.42) GSRCA12CA1CA2CA9
SCHEMBL18945034 0.73 TSHR (0.39) GSRTSHR
SCHEMBL6265612 0.72 GSR (0.41) GSRODC1DPP4DPP8DPP9
SCHEMBL29194171 0.72 GSR (0.50) GSRDPP4DPP8DPP9DPP7

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-0577775-A4 ANTI-THROMBOTIC PEPTIDES AND PSEUDOPEPTIDES. RHONE POULENC RORER INT (US) 1995-01-11 — — EP disclosed
EP-0577775-A1 ANTI-THROMBOTIC PEPTIDES AND PSEUDOPEPTIDES RHONE-POULENC RORER INTERNATIONAL (HOLDINGS) INC. (US) 1994-01-12 — — EP disclosed
WO-1992017196-A1 ANTI-THROMBOTIC PEPTIDES AND PSEUDOPEPTIDES RHONE-POULENC RORER INTERNATIONAL (HOLDINGS) INC. (US) 1992-10-15 — — WO disclosed
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