Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL7376456

O=C(O)C(F)(F)F.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F.O=C(O)CN1CCN(C(=O)Nc2ccc(N3CCNCC3)cc2)CC1

nearest known ligand 0.48

Full drug profile on Sugi Atlas →

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GLA P06280 1/20 0.48
CA12 O43570 4/20 0.47
CA2 P00918 4/20 0.47
CA9 Q16790 4/20 0.47
CA1 P00915 3/20 0.47
POLB P06746 2/20 0.47
MAPT P10636 3/20 0.47
ALDH1A1 P00352 2/20 0.47
ME2 P23368 1/20 0.46
ME1 P48163 1/20 0.46
ME3 Q16798 1/20 0.46
NAMPT P43490 3/20 0.45
PANK3 Q9H999 1/20 0.44
LMNA P02545 1/20 0.43
HTT P42858 1/20 0.43
FAAH O00519 1/20 0.43
REV1 Q9UBZ9 1/20 0.43

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
SCHEMBL8134080 0.93 POLB (0.53) GLACA12CA2CA9CA1
Trifluoroacetic Acid SCHEMBL7376343 0.83 ME3 (0.48) POLBMAPTALDH1A1ME3
Trifluoroacetic Acid SCHEMBL29803762 0.77 RAB9A (0.56) MAPTALDH1A1LMNAHTT
Trifluoroacetic Acid SCHEMBL7667828 0.76 POLB (0.80) GLAPOLBMAPTALDH1A1LMNA
SCHEMBL7371765 0.75 ME3 (0.54) POLBMAPTALDH1A1ME3
SCHEMBL8148579 0.75 ALOX5 (0.52) GLACA12CA2CA9CA1
SCHEMBL7371906 0.73 ALDH1A1 (0.46) POLBMAPTALDH1A1ME2ME1
SCHEMBL7108369 0.73 FAAH (0.65) CA12CA2CA9POLBMAPT
Trifluoroacetic Acid SCHEMBL6897031 0.72 SIGMAR1 (0.44)
SCHEMBL7112061 0.72 FAAH (0.64) CA12CA2CA9POLBMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6069143-A Fibrinogen receptor antagonists SMITHKLINE BEECHAM CORPORATION (US) 2000-05-30 US disclosed
EP-0885213-A4 FIBRINOGEN RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORP (US) 1999-04-28 EP disclosed
EP-0885213-A1 FIBRINOGEN RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 1998-12-23 EP disclosed
WO-1997025323-A1 FIBRINOGEN RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 1997-07-17 WO disclosed