Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL8440377

O=C(O)C(F)(F)F.O=C(O)C(F)(F)F.O=C(OCCN1CCCNCC1)OCc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.53

Full drug profile on Sugi Atlas →

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.53
ALDH1A1 P00352 3/20 0.53
TDP1 Q9NUW8 2/20 0.53
MAPT P10636 1/20 0.53
KCNJ1 P48048 4/20 0.49
KCNH2 Q12809 3/20 0.49
ITGB3 P05106 4/20 0.41
ITGA2B P08514 4/20 0.41
HRH3 Q9Y5N1 1/20 0.41
LTA4H P09960 1/20 0.40
PTGS1 P23219 1/20 0.40
PTGS2 P35354 1/20 0.40
GAA P10253 1/20 0.39
TP53 P04637 1/20 0.39
SIGMAR1 Q99720 2/20 0.39

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
SCHEMBL8439851 0.89 KCNJ1 (0.61) KDM4EALDH1A1TDP1MAPTKCNJ1
Hydrochloric Acid SCHEMBL8435792 0.88 KCNJ1 (0.60) KDM4EALDH1A1TDP1MAPTKCNJ1
Trifluoroacetic Acid SCHEMBL8435341 0.86 KCNJ1 (0.48) KDM4EALDH1A1TDP1MAPTKCNJ1
Trifluoroacetic Acid SCHEMBL8438033 0.81 KCNJ1 (0.47) KDM4EALDH1A1TDP1MAPTKCNJ1
SCHEMBL9124661 0.80 KCNJ1 (0.53) KDM4EALDH1A1TDP1MAPTKCNJ1
Trifluoroacetic Acid SCHEMBL6046649 0.77 KCNJ1 (0.48) KDM4EALDH1A1TDP1MAPTKCNJ1
SCHEMBL30435983 0.76 KCNJ1 (0.55) KDM4EALDH1A1TDP1MAPTKCNJ1
SCHEMBL14477660 0.76 KCNJ1 (0.58) KDM4EALDH1A1TDP1MAPTKCNJ1
SCHEMBL14312170 0.76 KCNJ1 (0.58) KDM4EALDH1A1TDP1MAPTKCNJ1
SCHEMBL9126753 0.75 KCNJ1 (0.58) KDM4EALDH1A1TDP1MAPTKCNJ1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5866564-A STABILITY SANKYO COMPANY, LIMITED (JP) 1999-02-02 US disclosed
EP-0518558-B1 1-Methylcarbapenem derivatives, their preparation and their use as antibiotics SANKYO CO (JP) 1998-09-02 EP disclosed
US-5712267-A Carbapenem derivatives, their preparation and their use as antibiotics SANKYO COMPANY,. LIMITED (JP) 1998-01-27 US disclosed
US-5420119-A Bactericides SANKYO COMPANY, LIMITED (JP) 1995-05-30 US disclosed
US-5310735-A Carbapenem derivatives having antibiotic activity, their preparation and their use SANKYO COMPANY, LIMITED (JP) 1994-05-10 US disclosed
EP-0518558-A1 1-Methylcarbapenem derivatives, their preparation and their use as antibiotics Sankyo Company Limited (JP) 1992-12-16 EP disclosed
EP-0443883-A1 Carbapenem derivatives having antibiotic activity, their preparation and their use Sankyo Company Limited (JP) 1991-08-28 EP disclosed