Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL7350478

CS(=O)(=O)c1nn(C2CCN(CC(=O)O)CC2)c2ccc(/C=C/C3CCNCC3)cc12.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F

nearest known ligand 0.36

Full drug profile on Sugi Atlas →

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ KHK P50053 1/20 0.36
▸ MAOB P27338 2/20 0.33
▸ SFRP1 Q8N474 1/20 0.32
▸ PIM1 P11309 1/20 0.31
▸ PIM2 Q9P1W9 1/20 0.31
▸ HDAC1 Q13547 1/20 0.31
▸ SLC2A1 P11166 1/20 0.30

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 SCHEMBL7350484 1.00 KHK (0.36) KHKMAOBSFRP1PIM1PIM2
SCHEMBL7371541 0.82 KHK (0.38) KHKMAOBPIM1PIM2HDAC1
SCHEMBL7371548 0.82 KHK (0.38) KHKMAOBPIM1PIM2HDAC1
SCHEMBL7345541 0.80 MAOB (0.37) MAOB
SCHEMBL7374491 0.80 KHK (0.41) KHKMAOBPIM1PIM2HDAC1
SCHEMBL7374493 0.80 KHK (0.41) KHKMAOBPIM1PIM2HDAC1
SCHEMBL8817959 0.80 KHK (0.41) KHKMAOBPIM1PIM2HDAC1
SCHEMBL8819354 0.80 KHK (0.38) KHKMAOBPIM1PIM2HDAC1
SCHEMBL8819369 0.80 KHK (0.38) KHKMAOBPIM1PIM2HDAC1
SCHEMBL8820177 0.80 KHK (0.38) KHKMAOBPIM1PIM2HDAC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0912555-A1 PIPERIDINE ACETIC ACID DERIVATIVES AND THEIR USE IN THE TREATMENT OF THROMBOTIC DISORDERS GLAXO GROUP LIMITED (GB) 1999-05-06 — — EP disclosed
WO-1997049699-A1 PIPERIDINE ACETIC ACID DERIVATIVES AND THEIR USE IN THE TREATMENT OF THROMBOTIC DISORDERS GLAXO GROUP LIMITED (GB) 1997-12-31 — — WO disclosed
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