Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL7787315

CCCCCCCCCCCCCCCCCC(CCCCCCCCCCCCCCCCC)OC(=O)NCCO.O=C(O)C(F)(F)F

nearest known ligand 0.42

Full drug profile on Sugi Atlas →

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 2/20 0.42
S1PR1 P21453 5/20 0.42
S1PR3 Q99500 5/20 0.42
S1PR2 O95136 4/20 0.42
S1PR5 Q9H228 3/20 0.42
ACHE P22303 7/20 0.38
CNR1 P21554 1/20 0.38
MAPT P10636 1/20 0.37
FAAH O00519 1/20 0.37
MEN1 O00255 1/20 0.36
HPGD P15428 1/20 0.36
RECQL P46063 1/20 0.36
KMT2A Q03164 1/20 0.36
HSD17B10 Q99714 1/20 0.36

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
SCHEMBL7125935 0.90 EPHX1 (0.49) EPHX1ACHEFAAH
SCHEMBL16023972 0.83 EPHX1 (0.51) EPHX1ACHE
SCHEMBL12530535 0.83 EPHX1 (0.51) EPHX1ACHE
SCHEMBL12530536 0.83 EPHX1 (0.51) EPHX1ACHE
SCHEMBL12530721 0.83 EPHX1 (0.51) EPHX1ACHE
SCHEMBL16023971 0.83 EPHX1 (0.51) EPHX1ACHE
SCHEMBL12530777 0.83 EPHX1 (0.51) EPHX1ACHE
SCHEMBL6154864 0.81 EPHX1 (0.52) EPHX1ACHEFAAH
SCHEMBL7131792 0.80 ACHE (0.41) EPHX1ACHE
SCHEMBL16174237 0.80 ACHE (0.49) EPHX1ACHEMAPTMEN1KMT2A

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
US-6251939-B1 A CARBAMIC ACID ESTER WITH A AMINO ACID RESIDUE AND A LIPOPHILIC GROUP, AND A POLYANIONIC MACROMOLECULE COMPRISES AN EXPRESSION VECTOR CAPABLE OF EXPRESSING A POLYPEPTIDE PROMEGA BIOSCIENCES, INC. 2001-06-26 US disclosed