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Sugi Predict / Compounds / Trifluoroacetic Acid

Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL1668616

O=C(O)C(F)(F)F.O=C(O)CCOCCc1ccc(OCc2ccccc2)c(C2(c3ccccc3)CCNCC2)c1

nearest known ligand 0.43

Full drug profile on Sugi Atlas →

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ FFAR4 Q5NUL3 11/20 0.43
▸ FFAR1 O14842 6/20 0.43
▸ TACR1 P25103 2/20 0.38
▸ S1PR1 P21453 1/20 0.38
▸ PTGER1 P34995 1/20 0.36
▸ PTGER4 P35408 1/20 0.36
▸ PTGER3 P43115 1/20 0.36
▸ PTGER2 P43116 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
SCHEMBL1668619 0.89 FFAR4 (0.35) FFAR4FFAR1TACR1
Hydrochloric Acid SCHEMBL1668222 0.89 FFAR1 (0.43) FFAR4FFAR1TACR1PTGER1PTGER4
SCHEMBL1670735 0.82 CHRM5 (0.46) FFAR4FFAR1PTGER1PTGER4PTGER3
SCHEMBL12800418 0.81 OPRM1 (0.40) FFAR1TACR1
SCHEMBL12801208 0.80 FFAR4 (0.47) FFAR4FFAR1PTGER1PTGER4PTGER3
Trifluoroacetic Acid SCHEMBL1668669 0.79 APP (0.35) FFAR4FFAR1TACR1S1PR1
SCHEMBL1668671 0.77 FFAR4 (0.44) FFAR4FFAR1S1PR1PTGER1PTGER4
Trifluoroacetic Acid SCHEMBL1670698 0.73 RXRA (0.33) FFAR4FFAR1TACR1
SCHEMBL12801209 0.73 OPRD1 (0.47) FFAR4TACR1
SCHEMBL1668495 0.72 CHRM5 (0.56) —

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
WO-2011048409-A1 CYCLIC AMINE DERIVATIVES HAVING BETA2 ADRENERGIC RECEPTOR AGONIST AND MUSCARINIC RECEPTOR ANTAGONIST ACTIVITY ASTRAZENECA AB (SE) 2011-04-28 — — WO disclosed