Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL7850378

NCCCN(CCOc1ccc2ccccc2c1)C(=O)[C@@H](N)CCc1ccccc1.O=C(O)C(F)(F)F

nearest known ligand 0.47

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MC4R P32245 6/20 0.47
MC3R P41968 5/20 0.47
MC5R P33032 5/20 0.47
KDM4E B2RXH2 2/20 0.42
ALDH1A1 P00352 1/20 0.42
PPARG P37231 2/20 0.41
PPARD Q03181 2/20 0.41
PPARA Q07869 2/20 0.41
CYSLTR1 Q9Y271 1/20 0.39
CA12 O43570 2/20 0.39
CA1 P00915 2/20 0.39
CA2 P00918 2/20 0.39
CA4 P22748 1/20 0.39
MTNR1A P48039 2/20 0.38
MTNR1B P49286 2/20 0.38
ITGB3 P05106 1/20 0.38
ITGA2B P08514 1/20 0.38
LTA4H P09960 1/20 0.38
PTPN1 P18031 1/20 0.38
MC1R Q01726 1/20 0.38

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
SCHEMBL8360637 0.94 MC4R (0.52) MC4RMC3RMC5RKDM4EALDH1A1
SCHEMBL8360633 0.94 MC4R (0.52) MC4RMC3RMC5RKDM4EALDH1A1
SCHEMBL7857073 0.87 MC4R (0.49) MC4RMC3RMC5RKDM4EALDH1A1
SCHEMBL7857113 0.87 MC4R (0.49) MC4RMC3RMC5RKDM4EALDH1A1
Trifluoroacetic Acid SCHEMBL7857975 0.84 MC4R (0.48) MC4RMC3RMC5R
SCHEMBL7857808 0.82 MC4R (0.60) MC4RMC3RMC5RKDM4EALDH1A1
SCHEMBL8358504 0.82 MC4R (0.60) MC4RMC3RMC5RKDM4EALDH1A1
SCHEMBL7857827 0.78 MC4R (0.51) MC4RMC3RMC5R
Trifluoroacetic Acid SCHEMBL8170100 0.76 LTA4H (0.41) MC4RMC3RPPARGPPARDPPARA
SCHEMBL8175656 0.74 MC4R (0.36) MC4RMC3RMC5RKDM4EALDH1A1

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-6245746-B1 ADMINISTERING AMIDE MICROBIOCIDE ANTIBIOTIC MICROCIDE PHARMACEUTICALS, INC. 2001-06-12 US disclosed
US-6114310-A THERAPY FOR MICROBIAL INFECTIONS MICROCIDE PHARMACEUTICALS, INC. (US) 2000-09-05 US disclosed