Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL6544759

CCOc1cc2c(cc1C(=O)NC)C(=N)N(CC(=O)c1ccc(OCC(=O)O)c(C(=O)OC(C)(C)C)c1)C2.O=C(O)C(F)(F)F

nearest known ligand 0.37

Full drug profile on Sugi Atlas →

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
F2R P25116 6/20 0.37
KDM4E B2RXH2 2/20 0.33
MAPT P10636 2/20 0.33
RAB9A P51151 2/20 0.33
NPC1 O15118 1/20 0.33
ALDH1A1 P00352 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.31
OPRM1 P35372 1/20 0.30
OPRD1 P41143 1/20 0.30
OPRK1 P41145 1/20 0.30
MEN1 O00255 1/20 0.30
KMT2A Q03164 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 SCHEMBL1729212 0.85 PTGDR2 (0.41) F2RKDM4EMAPTRAB9ANPC1
Bromide SCHEMBL5490703 0.85 F2R (0.43) F2RKDM4EMAPTRAB9ANPC1
Bromide SCHEMBL6543733 0.84 MAPT (0.43) F2RKDM4EMAPTRAB9ANPC1
Bromide SCHEMBL1729176 0.84 MAPT (0.45) F2RKDM4EMAPTRAB9ANPC1
Trifluoroacetic Acid SCHEMBL1728797 0.84 F2R (0.46) F2RKDM4EMAPTRAB9ANPC1
Bromide SCHEMBL5486564 0.84 MAPT (0.40) F2RKDM4EMAPTRAB9ANPC1
Hydrochloric Acid SCHEMBL5483217 0.83 F2R (0.42) F2RKDM4EMAPTRAB9ANPC1
Bromide SCHEMBL1730838 0.83 MEN1 (0.46) F2RKDM4EMAPTRAB9ANPC1
Trifluoroacetic Acid SCHEMBL1730949 0.82 F2R (0.43) F2RKDM4EMAPTRAB9ANPC1
Trifluoroacetic Acid SCHEMBL1730958 0.82 F2R (0.42) F2RKDM4EMAPTRAB9ANPC1

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
EP-1391451-A1 2-IMINOPYRROLIDINE DERIVATES Eisai Co., Ltd. (JP) 2004-02-25 EP disclosed