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Sugi Predict / Compounds / Trifluoroacetic Acid

Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL326418

CC(COc1ccc2c(c1)OCC21CCN(CCC(=O)O)CC1)Oc1ccccc1.O=C(O)C(F)(F)F

nearest known ligand 0.69

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Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ S1PR5 Q9H228 20/20 0.69
▸ S1PR1 P21453 11/20 0.63
▸ S1PR3 Q99500 4/20 0.63

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
SCHEMBL15139827 0.95 S1PR5 (0.72) S1PR5S1PR1S1PR3
Trifluoroacetic Acid SCHEMBL326841 0.91 S1PR5 (0.67) S1PR5S1PR1S1PR3
SCHEMBL326419 0.90 S1PR5 (0.56) S1PR5S1PR1S1PR3
Trifluoroacetic Acid SCHEMBL326564 0.88 S1PR5 (0.76) S1PR5S1PR1S1PR3
SCHEMBL324906 0.87 S1PR5 (0.59) S1PR5S1PR1S1PR3
SCHEMBL15137427 0.86 S1PR5 (0.69) S1PR5S1PR1S1PR3
Trifluoroacetic Acid SCHEMBL326410 0.85 S1PR5 (0.89) S1PR5S1PR1S1PR3
Trifluoroacetic Acid SCHEMBL326269 0.84 S1PR5 (0.72) S1PR5S1PR1S1PR3
Trifluoroacetic Acid SCHEMBL326594 0.83 S1PR5 (0.85) S1PR5S1PR1S1PR3
Trifluoroacetic Acid SCHEMBL326062 0.82 S1PR5 (0.68) S1PR5S1PR1S1PR3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2590955-A1 SPIRO-CYCLIC AMINE DERIVATIVES AS S1P MODULATORS ABBVIE B.V. (NL) 2013-05-15 — — EP disclosed
WO-2012004378-A1 SPIRO-CYCLIC AMINE DERIVATIVES AS S1P MODULATORS ABBOTT HEALTHCARE PRODUCTS B.V. (NL) 2012-01-12 — — WO disclosed