Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL6161823

NC(COCc1ccccc1)C(=O)N1CCC(n2c(=O)[nH]c3ccccc32)CC1.O=C(O)C(F)(F)F

nearest known ligand 0.53

Full drug profile on Sugi Atlas →

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CALCRL Q16602 6/20 0.53
HSD11B1 P28845 5/20 0.53
OPRM1 P35372 2/20 0.50
OPRK1 P41145 1/20 0.50
OPRL1 P41146 1/20 0.50
CYP3A4 P08684 1/20 0.49
CHRM1 P11229 2/20 0.49
LMNA P02545 1/20 0.49
MAPK1 P28482 1/20 0.49
HTT P42858 1/20 0.49
CHRM2 P08172 1/20 0.49
CHRM4 P08173 1/20 0.49
CHRM5 P08912 1/20 0.49
CHRM3 P20309 1/20 0.49
PLD1 Q13393 1/20 0.47
PLD2 O14939 1/20 0.46

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 SCHEMBL6162047 1.00 CALCRL (0.53) CALCRLHSD11B1OPRM1OPRK1OPRL1
SCHEMBL6161231 0.95 CALCRL (0.56) CALCRLHSD11B1OPRM1OPRK1OPRL1
SCHEMBL6161647 0.95 CALCRL (0.56) CALCRLHSD11B1OPRM1OPRK1OPRL1
Trifluoroacetic Acid SCHEMBL6159842 0.86 CALCRL (0.56) CALCRLHSD11B1OPRM1OPRK1OPRL1
SCHEMBL6161820 0.85 CALCRL (0.58) CALCRLHSD11B1OPRM1OPRK1OPRL1
SCHEMBL6162042 0.85 CALCRL (0.58) CALCRLHSD11B1OPRM1OPRK1OPRL1
Trifluoroacetic Acid SCHEMBL6165360 0.84 CALCRL (0.56) CALCRLHSD11B1CYP3A4CHRM1LMNA
SCHEMBL6164964 0.82 CALCRL (0.54) CALCRLHSD11B1OPRM1OPRK1OPRL1
SCHEMBL6164957 0.82 CALCRL (0.54) CALCRLHSD11B1OPRM1OPRK1OPRL1
SCHEMBL6163603 0.80 CALCRL (0.59) CALCRLHSD11B1CYP3A4

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