Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL8057460

O=C(O)C(F)(F)F.O=c1[nH]c2cc(OCCCN3CCC(Cc4ccccc4)CC3)ccc2c(=O)c2[nH]nnc12

nearest known ligand 0.48

Full drug profile on Sugi Atlas →

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ACHE P22303 5/20 0.48
BCHE P06276 2/20 0.48
MAOB P27338 12/20 0.48
SLC6A2 P23975 1/20 0.47
SLC6A4 P31645 1/20 0.47
TMEM97 Q5BJF2 1/20 0.45
SIGMAR1 Q99720 1/20 0.45
MAOA P21397 3/20 0.45

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
SCHEMBL8071910 0.94 ACHE (0.53) ACHEBCHEMAOBSLC6A2SLC6A4
Trifluoroacetic Acid SCHEMBL8067000 0.87 XDH (0.44) SIGMAR1
Trifluoroacetic Acid SCHEMBL8066735 0.86 MAOA (0.45) SIGMAR1MAOA
SCHEMBL7831263 0.84 ACHE (0.52) ACHEBCHEMAOBMAOA
SCHEMBL8057465 0.82 ACHE (0.46) ACHEBCHEMAOBSLC6A2SLC6A4
SCHEMBL7827131 0.79 PARP1 (0.50) ACHEBCHEMAOBSIGMAR1MAOA
SCHEMBL8068050 0.79 XDH (0.48) SIGMAR1MAOA
SCHEMBL8067124 0.78 MAOA (0.52) ACHESLC6A4SIGMAR1MAOA
SCHEMBL7816229 0.77 MAOA (0.47) MAOBMAOA
SCHEMBL7827564 0.76 MAOA (0.47) MAOBMAOA

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
US-6093714-A AN ANTIALLERGENS FOR TREATMENT AND PREVENTION OF BRONCHIAL ASTHMA, ECZEMA, HIVES, ALLERGIC GASTROINTESTINAL TROUBLES, ALLERGIC RHINITIS, ALLERGIC CONJUNCTIVITIS MEIJI SEIKA KAISHA, LTD. (JP) 2000-07-25 US disclosed
EP-0834512-A1 TRICYCLIC BENZAZEPINE COMPOUNDS MEIJI SEIKA KAISHA LTD. (JP) 1998-04-08 EP disclosed