Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL17558337

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

nearest known ligand 0.37

Full drug profile on Sugi Atlas →

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
IGF1R P08069 16/20 0.37
NTRK1 P04629 1/20 0.35
AR P10275 1/20 0.34
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
TSHR P16473 1/20 0.33
KMT2A Q03164 1/20 0.33

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 SCHEMBL17558458 0.86 IGF1R (0.52) IGF1RARTSHRKMT2A
SCHEMBL6172123 0.84 IGF1R (0.38) IGF1RNTRK1AR
Trifluoroacetic Acid SCHEMBL17558379 0.84 IGF1R (0.42) IGF1RNTRK1AR
SCHEMBL17558435 0.83 IGF1R (0.36) IGF1RNTRK1AR
SCHEMBL6175028 0.79 IGF1R (0.45) IGF1RNTRK1AR
SCHEMBL6173427 0.79 IGF1R (0.45) IGF1RNTRK1AR
Trifluoroacetic Acid SCHEMBL3727093 0.77 IGF1R (0.47) IGF1RNTRK1NPC1RAB9ASMN1; SMN2
SCHEMBL6175223 0.77 IGF1R (0.43) IGF1RNTRK1AR
Trifluoroacetic Acid SCHEMBL2933617 0.75 IGF1R (0.65) IGF1R
Trifluoroacetic Acid SCHEMBL17558384 0.74 IGF1R (0.51) IGF1RAR

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