Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL8920265

CC(N)CCNCCCCNC(=O)C(=O)NCCCCCCCCNC=NN.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F

nearest known ligand 0.37

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Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 4/20 0.37
S1PR3 Q99500 4/20 0.37
S1PR2 O95136 3/20 0.37
S1PR5 Q9H228 3/20 0.37
CA12 O43570 1/20 0.35
CA2 P00918 1/20 0.35
CA3 P07451 1/20 0.35
CA4 P22748 1/20 0.35
CA6 P23280 1/20 0.35
CA5A P35218 1/20 0.35
CA7 P43166 1/20 0.35
CA9 Q16790 1/20 0.35
CA14 Q9ULX7 1/20 0.35
CA5B Q9Y2D0 1/20 0.35
EPHX2 P34913 1/20 0.32
HDAC6 Q9UBN7 3/20 0.32
HDAC3 O15379 2/20 0.31
HDAC4 P56524 2/20 0.31
HDAC1 Q13547 2/20 0.31
HDAC7 Q8WUI4 2/20 0.31

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 SCHEMBL8921719 1.00 S1PR1 (0.37) S1PR1S1PR3S1PR2S1PR5CA12
Trifluoroacetic Acid SCHEMBL8919622 0.92 S1PR1 (0.36) S1PR1S1PR3S1PR2S1PR5CA12
Trifluoroacetic Acid SCHEMBL8919845 0.92 S1PR1 (0.36) S1PR1S1PR3S1PR2S1PR5CA12
Trifluoroacetic Acid SCHEMBL8921926 0.92 S1PR1 (0.36) S1PR1S1PR3S1PR2S1PR5CA12
SCHEMBL527539 0.92 DPP7 (0.34) EPHX2ALDH1A1
SCHEMBL524489 0.92 DPP7 (0.34) EPHX2ALDH1A1
Trifluoroacetic Acid SCHEMBL8920686 0.90 S1PR1 (0.40) S1PR1S1PR3S1PR2S1PR5CA12
Trifluoroacetic Acid SCHEMBL8919609 0.90 S1PR1 (0.40) S1PR1S1PR3S1PR2S1PR5CA12
Trifluoroacetic Acid SCHEMBL8924657 0.90 S1PR1 (0.40) S1PR1S1PR3S1PR2S1PR5CA12
Trifluoroacetic Acid SCHEMBL8921099 0.90 S1PR1 (0.40) S1PR1S1PR3S1PR2S1PR5CA12

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-5637613-A ANTITUMOR AGENT; IMMUNOSUPPRESSANTS FOURNIER INDUSTRIE ET SANTE (FR) 1997-06-10 US disclosed