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Sugi Predict / Compounds / Trifluoroacetic Acid

Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL7990087

CCCc1nc(C[C@H](C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)O)c2ccc3c(c2)OOC3)c[nH]1.O=C(O)C(F)(F)F

nearest known ligand 0.44

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Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ ECE1 P42892 12/20 0.44
▸ ACE P12821 4/20 0.42

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 SCHEMBL7976168 0.96 ECE1 (0.43) ECE1ACE
Trifluoroacetic Acid SCHEMBL7990408 0.95 ECE1 (0.45) ECE1ACE
Trifluoroacetic Acid SCHEMBL7990093 0.90 MAPK1 (0.48) ECE1ACE
Trifluoroacetic Acid SCHEMBL7976175 0.85 MAPK1 (0.46) ECE1ACE
Trifluoroacetic Acid SCHEMBL7990414 0.85 MAPK1 (0.48) ECE1ACE
Hydrochloric Acid SCHEMBL7989902 0.81 MAPK1 (0.49) ECE1ACE
Trifluoroacetic Acid SCHEMBL7986445 0.78 EDNRA (0.39) ECE1ACE
Hydrochloric Acid SCHEMBL8811696 0.74 MAPK1 (0.48) ECE1
SCHEMBL8807806 0.73 MAPK1 (0.45) ECE1ACE
SCHEMBL7993356 0.72 ECE1 (0.59) ECE1ACE

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6207686-B1 FOR THERAPY OF HYPERTENSION FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2001-03-27 — — US disclosed
EP-0792265-A1 ENDOTHELIN ANTAGONISTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1997-09-03 — — EP disclosed
WO-1996015109-A1 ENDOTHELIN ANTAGONISTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1996-05-23 — — WO disclosed