Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL17558384

O=C(O)C(F)(F)F.O=C1N[C@](Cc2ccc(O)cc2)(Cc2ccnc3ccccc23)C(=O)N1c1ccc(S(=O)(=O)C(F)(F)F)cc1

nearest known ligand 0.51

Full drug profile on Sugi Atlas →

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
IGF1R P08069 2/20 0.51
PTGDR2 Q9Y5Y4 1/20 0.34
AR P10275 2/20 0.33
NAMPT P43490 1/20 0.33
SYK P43405 1/20 0.32
NR3C2 P08235 3/20 0.31
ADAMTS4 O75173 1/20 0.31
MMP13 P45452 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.30
ALDH1A1 P00352 1/20 0.30
CASP6 P55212 1/20 0.30
TACR1 P25103 1/20 0.30
PTPRZ1 P23471 1/20 0.30

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
SCHEMBL6172757 0.92 IGF1R (0.57) IGF1RPTGDR2ARNAMPTALDH1A1
Trifluoroacetic Acid SCHEMBL17558458 0.88 IGF1R (0.52) IGF1RPTGDR2ARNAMPTSYK
Trifluoroacetic Acid SCHEMBL17558363 0.86 IGF1R (0.50) IGF1RPTGDR2ARNAMPT
SCHEMBL6173223 0.84 IGF1R (0.55) IGF1RARNAMPT
Trifluoroacetic Acid SCHEMBL17558350 0.83 IGF1R (0.60) IGF1RPTGDR2ARNAMPTSYK
Trifluoroacetic Acid SCHEMBL17558459 0.83 IGF1R (0.60) IGF1RPTGDR2ARNAMPTSYK
SCHEMBL6172123 0.83 IGF1R (0.38) IGF1RAR
SCHEMBL17558392 0.82 IGF1R (0.51) IGF1RARNAMPTSYK
SCHEMBL6174602 0.81 CYP3A4 (0.37) IGF1RARNAMPTALDH1A1PTPRZ1
Trifluoroacetic Acid SCHEMBL17558366 0.79 IGF1R (0.38) IGF1RPTGDR2NAMPTALDH1A1

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-3188729-A1 CYCLIC UREA COMPOUNDS AS TROPOMYOSIN-RELATED KINASE (TRK) INHIBITORS Genzyme Corporation (US) 2017-07-12 EP disclosed
WO-2016036796-A1 CYCLIC UREA COMPOUNDS AS TROPOMYOSIN-RELATED KINASE (TRK) INHIBITORS GENZYME CORPORATION (US) 2016-03-10 WO disclosed