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Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL829123

CC(C)c1nc2c(C(=O)NCC3CCNCC3)cccc2[nH]1.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F

nearest known ligand 0.61

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Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ HTR4 Q13639 15/20 0.61
▸ HTR3A P46098 13/20 0.61
▸ PARP1 P09874 1/20 0.50
▸ CHRM1 P11229 2/20 0.46
▸ PBK Q96KB5 1/20 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 SCHEMBL29399435 1.00 HTR4 (0.61) HTR4HTR3APARP1CHRM1PBK
SCHEMBL828936 0.93 HTR4 (0.68) HTR4HTR3APARP1CHRM1PBK
SCHEMBL29397140 0.93 HTR4 (0.68) HTR4HTR3APARP1CHRM1PBK
SCHEMBL29397319 0.85 HTR4 (0.82) HTR4HTR3APARP1
SCHEMBL828983 0.85 HTR4 (0.82) HTR4HTR3APARP1
SCHEMBL8090284 0.82 HTR3A (0.77) HTR4HTR3APARP1
Formic Acid Methyl Ester SCHEMBL28074652 0.81 HTR4 (0.77) HTR4HTR3APARP1
SCHEMBL29400996 0.79 HTR3A (0.62) HTR4HTR3APARP1CHRM1PBK
SCHEMBL829207 0.79 HTR3A (0.62) HTR4HTR3APARP1CHRM1PBK
SCHEMBL4244377 0.78 PBK (0.53) HTR4HTR3APARP1CHRM1PBK

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
US-8143279-B2 Benzimidazole-carboxamide compounds as 5-HT4 receptor agonists THERAVANCE, INC. (US) 2012-03-27 — — US disclosed
EP-1899324-B1 Benzimidazole-carboxamide compounds as 5-HT4 receptor agonists THERAVANCE INC (US) 2011-11-30 — — EP disclosed
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