Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL17558458

O=C(O)C(F)(F)F.O=C1N[C@](Cc2ccccn2)(Cc2ccnc3ccccc23)C(=O)N1c1ccc(S(=O)(=O)C(F)(F)F)cc1

nearest known ligand 0.52

Full drug profile on Sugi Atlas →

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
IGF1R P08069 2/20 0.52
AR P10275 2/20 0.33
PTGDR2 Q9Y5Y4 1/20 0.33
TSHR P16473 1/20 0.33
KMT2A Q03164 1/20 0.33
SYK P43405 1/20 0.32
HTT P42858 1/20 0.32
LMNA P02545 1/20 0.32
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
CA4 P22748 1/20 0.31
CA9 Q16790 1/20 0.31
NAMPT P43490 1/20 0.31
ALDH1A1 P00352 1/20 0.31
SHMT2 P34897 1/20 0.31
GLA P06280 1/20 0.30
POLB P06746 1/20 0.30
MAPT P10636 1/20 0.30
GPR6 P46095 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
Trifluoroacetic Acid SCHEMBL17558384 0.88 IGF1R (0.51) IGF1RARPTGDR2SYKNAMPT
SCHEMBL6172757 0.87 IGF1R (0.57) IGF1RARPTGDR2TSHRKMT2A
Trifluoroacetic Acid SCHEMBL17558363 0.87 IGF1R (0.50) IGF1RARPTGDR2CA1CA2
Trifluoroacetic Acid SCHEMBL17558337 0.86 IGF1R (0.37) IGF1RARTSHRKMT2A
Trifluoroacetic Acid SCHEMBL17558350 0.84 IGF1R (0.60) IGF1RARPTGDR2KMT2ASYK
Trifluoroacetic Acid SCHEMBL17558459 0.84 IGF1R (0.60) IGF1RARPTGDR2KMT2ASYK
SCHEMBL17558392 0.83 IGF1R (0.51) IGF1RARSYKNAMPT
SCHEMBL6173223 0.81 IGF1R (0.55) IGF1RARTSHRKMT2ANAMPT
SCHEMBL6171503 0.79 IGF1R (0.65) IGF1RARPTGDR2TSHRKMT2A
SCHEMBL6175292 0.79 IGF1R (0.65) IGF1RARPTGDR2TSHRKMT2A

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