Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL6165360

NC1CCCC1.O=C(O)C(F)(F)F.O=C(O)N[C@H](COCc1ccccc1)C(=O)N1CCC(n2c(=O)[nH]c3ccccc32)CC1

nearest known ligand 0.56

Full drug profile on Sugi Atlas →

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CALCRL Q16602 15/20 0.56
CYP3A4 P08684 7/20 0.52
RAMP1 O60894 1/20 0.47
HSD11B1 P28845 1/20 0.46
MAPK1 P28482 2/20 0.46
ALDH1A1 P00352 1/20 0.46
LMNA P02545 1/20 0.44
HTT P42858 1/20 0.44
CHRM2 P08172 1/20 0.44
CHRM4 P08173 1/20 0.44
CHRM5 P08912 1/20 0.44
CHRM1 P11229 1/20 0.44
CHRM3 P20309 1/20 0.44

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 SCHEMBL6159842 0.98 CALCRL (0.56) CALCRLCYP3A4RAMP1HSD11B1MAPK1
SCHEMBL6161820 0.88 CALCRL (0.58) CALCRLCYP3A4RAMP1HSD11B1MAPK1
SCHEMBL6162042 0.88 CALCRL (0.58) CALCRLCYP3A4RAMP1HSD11B1MAPK1
Trifluoroacetic Acid SCHEMBL6161823 0.84 CALCRL (0.53) CALCRLCYP3A4HSD11B1MAPK1LMNA
Trifluoroacetic Acid SCHEMBL6162047 0.84 CALCRL (0.53) CALCRLCYP3A4HSD11B1MAPK1LMNA
SCHEMBL6161677 0.83 CALCRL (0.57) CALCRLCYP3A4RAMP1HSD11B1CHRM2
SCHEMBL6163603 0.83 CALCRL (0.59) CALCRLCYP3A4RAMP1HSD11B1
SCHEMBL6161636 0.83 CALCRL (0.59) CALCRLCYP3A4RAMP1HSD11B1
Hydrochloric Acid SCHEMBL6160811 0.82 CALCRL (0.58) CALCRLCYP3A4RAMP1HSD11B1
Hydrochloric Acid SCHEMBL6161941 0.82 CALCRL (0.58) CALCRLCYP3A4RAMP1HSD11B1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0828754-B1 DIPEPTIDES WHICH PROMOTE RELEASE OF GROWTH HORMONE PFIZER (US) 2005-02-02 EP claimed