Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL6161659

Cc1[nH]c2ccccc2c1C[C@@H](NC(=O)C(C)(C)N)C(=O)N1CCC(n2c(=O)[nH]c3ccccc32)CC1.O=C(O)C(F)(F)F

nearest known ligand 0.56

Full drug profile on Sugi Atlas →

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CALCRL Q16602 16/20 0.56
CYP3A4 P08684 8/20 0.55
RAMP1 O60894 1/20 0.49
LMNA P02545 1/20 0.47
MAPK1 P28482 1/20 0.47
HTT P42858 1/20 0.47
HSD11B1 P28845 2/20 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
SCHEMBL6161840 0.96 CALCRL (0.56) CALCRLCYP3A4RAMP1HSD11B1
SCHEMBL6161834 0.96 CALCRL (0.56) CALCRLCYP3A4RAMP1HSD11B1
Trifluoroacetic Acid SCHEMBL6163517 0.87 CALCRL (0.69) CALCRLCYP3A4RAMP1LMNAMAPK1
SCHEMBL6164981 0.85 CALCRL (0.75) CALCRLCYP3A4RAMP1HSD11B1
Hydrochloric Acid SCHEMBL6162097 0.84 CALCRL (0.74) CALCRLCYP3A4RAMP1HSD11B1
Hydrochloric Acid SCHEMBL6161925 0.84 CALCRL (0.74) CALCRLCYP3A4RAMP1HSD11B1
SCHEMBL6162595 0.83 CALCRL (0.51) CALCRLCYP3A4RAMP1HSD11B1
SCHEMBL6162588 0.83 CALCRL (0.51) CALCRLCYP3A4RAMP1HSD11B1
SCHEMBL6163599 0.82 CALCRL (0.75) CALCRLCYP3A4RAMP1HSD11B1
SCHEMBL6163598 0.82 CALCRL (0.75) 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 3 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
US-5936089-A PIPERIDINE DERIVATIVES; BONE DISORDERS; OBESITY; AGING; CACHEXIA ASSOCIATED WITH AIDS AND CANCER PFIZER INC (US) 1999-08-10 US disclosed