Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL8439463

N=C(NC(=O)OCc1ccc([N+](=O)[O-])cc1)N1CCNCC1.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F

nearest known ligand 0.45

Full drug profile on Sugi Atlas →

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KCNJ1 P48048 2/20 0.44
DPP8 Q6V1X1 1/20 0.44
DPP9 Q86TI2 1/20 0.44
KCNH2 Q12809 1/20 0.41
P2RX7 Q99572 1/20 0.40
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 1/20 0.40
MAPT P10636 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
ADRB1 P08588 1/20 0.39
SIRT6 Q8N6T7 1/20 0.39
MEN1 O00255 1/20 0.38
POLB P06746 1/20 0.38
KMT2A Q03164 1/20 0.38
TGM2 P21980 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
SCHEMBL8435707 0.93 DPP8 (0.48) KCNJ1DPP8DPP9KCNH2KDM4E
Trifluoroacetic Acid SCHEMBL8438033 0.81 KCNJ1 (0.47) KCNJ1DPP8DPP9KCNH2KDM4E
SCHEMBL8440339 0.78 ALDH1A1 (0.59) DPP8DPP9P2RX7ALDH1A1MAPT
SCHEMBL6944079 0.77 DPP8 (0.52) KCNJ1DPP8DPP9KCNH2KDM4E
Trifluoroacetic Acid SCHEMBL8435341 0.76 KCNJ1 (0.48) KCNJ1KCNH2KDM4EALDH1A1MAPT
SCHEMBL3039451 0.76 KCNJ1 (0.53) KCNJ1DPP8DPP9KCNH2KDM4E
Hydrochloric Acid SCHEMBL5724126 0.75 KCNJ1 (0.52) KCNJ1DPP8DPP9KCNH2KDM4E
Trifluoroacetic Acid SCHEMBL6046649 0.74 KCNJ1 (0.48) KCNJ1DPP8DPP9KCNH2KDM4E
Trifluoroacetic Acid SCHEMBL8438721 0.74 EPHX1 (0.46) KCNJ1ALDH1A1TGM2
Trifluoroacetic Acid SCHEMBL8439864 0.74 EPHX1 (0.46) KCNJ1ALDH1A1TGM2

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 4 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-0560613-B1 Antimicrobial carbapenem derivatives, their preparation and their therapeutic use SANKYO CO (JP) 1998-11-25 EP disclosed
US-5712267-A Carbapenem derivatives, their preparation and their use as antibiotics SANKYO COMPANY,. LIMITED (JP) 1998-01-27 US disclosed
EP-0560613-A1 Antimicrobial carbapenem derivatives, their preparation and their therapeutic use SANKYO COMPANY LIMITED (JP) 1993-09-15 EP disclosed