Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL7522281

O=C(O)C(F)(F)F.O=C(O)C(F)(F)F.O=C(O)CN1CCC(C(=O)Nc2ccc(N3CCNCC3)c(Cl)c2)CC1

nearest known ligand 0.52

Full drug profile on Sugi Atlas →

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.49
HPGD P15428 1/20 0.49
TSHR P16473 1/20 0.49
NPY2R P49146 2/20 0.47
HSP90AA1 P07900 1/20 0.47
HSP90AB1 P08238 1/20 0.47
MALT1 Q9UDY8 8/20 0.46
KMT2A Q03164 3/20 0.42
MEN1 O00255 2/20 0.42
MAPT P10636 1/20 0.42
ITGB3 P05106 1/20 0.42
ITGA2B P08514 1/20 0.42
CHRM4 P08173 1/20 0.41
CHRM1 P11229 1/20 0.41

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
SCHEMBL8150390 0.94 HPGD (0.54) ALDH1A1HPGDTSHRNPY2RHSP90AA1
Trifluoroacetic Acid SCHEMBL7379635 0.90 TRPV1 (0.45) NPY2RKMT2AMEN1MAPTITGB3
SCHEMBL8142733 0.87 TRPV1 (0.47) NPY2RHSP90AA1HSP90AB1KMT2AMEN1
Trifluoroacetic Acid SCHEMBL7376343 0.85 ME3 (0.48) ALDH1A1MALT1KMT2AMEN1MAPT
Trifluoroacetic Acid SCHEMBL7413403 0.80 BACE1 (0.45) ALDH1A1TSHR
Trifluoroacetic Acid SCHEMBL7411758 0.79 ABL1 (0.45) MAPT
SCHEMBL7371765 0.78 ME3 (0.54) ALDH1A1MALT1KMT2AMEN1MAPT
SCHEMBL24630443 0.74 ALDH1A1 (0.53) ALDH1A1HPGDTSHRNPY2RMALT1
SCHEMBL8143794 0.73 HTR6 (0.46) ALDH1A1HPGDTSHRKMT2AMEN1
SCHEMBL8141371 0.73 POLB (0.46) MAPT

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