Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL7990093

CCCc1nc(C[C@H](C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)O)c2ccc3c(c2)OCO3)c[nH]1.O=C(O)C(F)(F)F

nearest known ligand 0.52

Full drug profile on Sugi Atlas →

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
ECE1 P42892 9/20 0.47
ACE P12821 3/20 0.45

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 SCHEMBL7976175 0.95 MAPK1 (0.46) MAPK1SMN1; SMN2ECE1ACE
Trifluoroacetic Acid SCHEMBL7990414 0.95 MAPK1 (0.48) MAPK1SMN1; SMN2ECE1ACE
Hydrochloric Acid SCHEMBL7989902 0.91 MAPK1 (0.49) MAPK1SMN1; SMN2ECE1ACE
Trifluoroacetic Acid SCHEMBL7990087 0.90 ECE1 (0.44) ECE1ACE
Trifluoroacetic Acid SCHEMBL7986445 0.88 EDNRA (0.39) MAPK1SMN1; SMN2ECE1ACE
Trifluoroacetic Acid SCHEMBL7976168 0.86 ECE1 (0.43) ECE1ACE
Trifluoroacetic Acid SCHEMBL7990408 0.84 ECE1 (0.45) ECE1ACE
Hydrochloric Acid SCHEMBL8811696 0.83 MAPK1 (0.48) MAPK1SMN1; SMN2ECE1
SCHEMBL7993356 0.83 ECE1 (0.59) MAPK1SMN1; SMN2ECE1ACE
SCHEMBL8807806 0.82 MAPK1 (0.45) MAPK1SMN1; SMN2ECE1ACE

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