Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL6538546

CCOC(=O)c1ccc(-c2cn3nc(-c4ccc(-c5ccc(OCC)cc5)cc4)sc3n2)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
MAPT P10636 5/20 0.53
TP53 P04637 4/20 0.53
CA12 O43570 4/20 0.46
CA1 P00915 4/20 0.46
CA2 P00918 4/20 0.46
CA9 Q16790 4/20 0.46
ALPL P05186 1/20 0.45
ALPI P09923 1/20 0.45
TSHR P16473 2/20 0.44
HSD17B10 Q99714 2/20 0.44
ALDH1A1 P00352 1/20 0.44
F2RL3 Q96RI0 1/20 0.44
RARA P10276 1/20 0.42
RARB P10826 1/20 0.42
RARG P13631 1/20 0.42
HIF1A Q16665 1/20 0.42

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 SCHEMBL7316392 0.93 TP53 (0.47) MAPTTP53CA12CA1CA2
Trifluoroacetic Acid SCHEMBL6538606 0.92 TP53 (0.47) MAPTTP53CA12CA1CA2
Trifluoroacetic Acid SCHEMBL7323795 0.92 CA12 (0.56) MAPTTP53CA12CA1CA2
Trifluoroacetic Acid SCHEMBL6539243 0.92 TP53 (0.56) MAPTTP53CA12CA1CA2
Trifluoroacetic Acid SCHEMBL7318099 0.86 F2RL3 (0.41) MAPTTP53CA12CA1CA2
SCHEMBL6539767 0.85 MAPT (0.57) MAPTTP53CA12CA1CA2
Trifluoroacetic Acid SCHEMBL7325659 0.84 SIRT2 (0.46) MAPTTP53CA12CA1CA2
Trifluoroacetic Acid SCHEMBL7323575 0.84 CA12 (0.46) MAPTTP53CA12CA1CA2
Trifluoroacetic Acid SCHEMBL7323148 0.84 LMNA (0.48) MAPTTP53CA12CA1CA2
Trifluoroacetic Acid SCHEMBL7324043 0.84 MTOR (0.42) MAPTTP53CA12CA1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6743776-B2 ANTIFUNGAL, BETA-1,3-GLUCAN SYNTHASE INHIBITOR, PNEUMOCYSTIS CARINII; AMIDATION FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2004-06-01 US disclosed