Sugi Predict

Sugi Predict / Compounds / Trifluoroacetic Acid

Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL1729320

COc1cc2c(c(F)c1OC)C(=N)N(CC(=O)c1cc(N3CCCC3)c(OCC(=O)O)c(C(C)(C)C)c1)C2.O=C(O)C(F)(F)F

nearest known ligand 0.65

Full drug profile on Sugi Atlas →

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ F2R P25116 11/20 0.65
▸ PKM P14618 1/20 0.31
▸ RARA P10276 1/20 0.30
▸ RARB P10826 1/20 0.30
▸ RARG P13631 1/20 0.30
▸ ALDH1A1 P00352 1/20 0.30
▸ GAA P10253 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 SCHEMBL1730670 0.92 F2R (0.62) F2RRARARARBRARG
Trifluoroacetic Acid SCHEMBL1731390 0.91 F2R (0.72) F2RGAA
SCHEMBL14449153 0.90 F2R (0.73) F2RALDH1A1GAA
SCHEMBL1729324 0.90 F2R (0.62) F2R
Trifluoroacetic Acid SCHEMBL5490717 0.90 F2R (0.71) F2RALDH1A1GAA
Bromide SCHEMBL1732555 0.90 F2R (0.63) F2RRARARARBRARG
Bromide SCHEMBL1730793 0.90 F2R (0.73) F2RALDH1A1GAA
Bromide SCHEMBL1729869 0.89 F2R (0.66) F2RRARARARBRARG
SCHEMBL12151776 0.89 F2R (0.65) F2RRARARARBRARG
Bromide SCHEMBL5490285 0.89 F2R (0.65) F2RRARARARBRARG

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-1391451-B1 2-IMINOPYRROLIDINE DERIVATES EISAI R&D MAN CO LTD (JP) 2011-11-23 — — EP disclosed
US-7244730-B2 2-iminopyrrolidine derivatives EISAI CO., LTD (JP) 2007-07-17 — — US disclosed