Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL9178492

N=C(N)NCCCCCCCCNC(=O)COC(=O)NCCCCNCCCN.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F

nearest known ligand 0.43

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 3/20 0.43
CA12 O43570 2/20 0.35
CA2 P00918 2/20 0.35
CA3 P07451 2/20 0.35
CA4 P22748 2/20 0.35
CA6 P23280 2/20 0.35
CA5A P35218 2/20 0.35
CA7 P43166 2/20 0.35
CA9 Q16790 2/20 0.35
CA14 Q9ULX7 2/20 0.35
CA5B Q9Y2D0 2/20 0.35
FAAH O00519 1/20 0.35
MAOA P21397 2/20 0.34
MAOB P27338 2/20 0.34
CA1 P00915 1/20 0.34
HRH2 P25021 2/20 0.34
HRH1 P35367 2/20 0.34
HRH4 Q9H3N8 2/20 0.34
HRH3 Q9Y5N1 2/20 0.34
MEN1 O00255 1/20 0.34

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
Tresperimus SCHEMBL9173994 1.00 HDAC6 (0.43) HDAC6CA12CA2CA3CA4
SCHEMBL9017339 0.92 FAAH (0.40) HDAC6CA12CA2CA3CA4
Tresperimus SCHEMBL385624 0.92 FAAH (0.40) HDAC6CA12CA2CA3CA4
Trifluoroacetic Acid SCHEMBL9178566 0.86 HDAC6 (0.50) HDAC6CA12CA2CA3CA4
Trifluoroacetic Acid SCHEMBL9172125 0.86 HDAC6 (0.50) HDAC6CA12CA2CA3CA4
Anisperimus SCHEMBL8778895 0.86 NPY4R (0.36) HDAC6CA12CA2CA3CA4
Anisperimus SCHEMBL8778892 0.86 NPY4R (0.36) HDAC6CA12CA2CA3CA4
Anisperimus SCHEMBL8923118 0.86 NPY4R (0.36) HDAC6CA12CA2CA3CA4
Trifluoroacetic Acid SCHEMBL9178312 0.82 HDAC6 (0.51) HDAC6CA12CA2CA3CA4
Trifluoroacetic Acid SCHEMBL9173127 0.82 HDAC6 (0.51) HDAC6CA12CA2CA3CA4

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-5476870-A Immunosuppressants FOURNIER INDUSTRIE ET SANTE (FR) 1995-12-19 US disclosed