Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL5498247

O=C(O)C(F)(F)F.O=C(c1ccc(OCc2cccc(C(F)(F)F)c2)cc1)N1CCCC1CN1CCCC1

nearest known ligand 0.58

Full drug profile on Sugi Atlas →

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 6/20 0.58
NR4A2 P43354 2/20 0.54
SPHK2 Q9NRA0 3/20 0.53
MET P08581 3/20 0.53
ALK Q9UM73 1/20 0.52
MAOB P27338 2/20 0.51
PDGFRA P16234 1/20 0.51
S1PR1 P21453 1/20 0.51
S1PR5 Q9H228 1/20 0.51
FFAR1 O14842 1/20 0.49
FFAR4 Q5NUL3 1/20 0.49
SPHK1 Q9NYA1 1/20 0.46

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 SCHEMBL5498248 1.00 HRH3 (0.58) HRH3NR4A2SPHK2METALK
SCHEMBL3274718 0.96 HRH3 (0.62) HRH3NR4A2SPHK2METMAOB
SCHEMBL3274721 0.96 HRH3 (0.62) HRH3NR4A2SPHK2METMAOB
Trifluoroacetic Acid SCHEMBL3275405 0.90 MET (0.55) HRH3NR4A2SPHK2METALK
Trifluoroacetic Acid SCHEMBL3275401 0.90 MET (0.55) HRH3NR4A2SPHK2METALK
Trifluoroacetic Acid SCHEMBL3275015 0.90 SPHK2 (0.53) HRH3SPHK2METALKMAOB
Trifluoroacetic Acid SCHEMBL3275018 0.90 SPHK2 (0.53) HRH3SPHK2METALKMAOB
Trifluoroacetic Acid SCHEMBL5506854 0.89 HRH3 (0.57) HRH3SPHK2METALKSPHK1
Trifluoroacetic Acid SCHEMBL3275399 0.89 HRH3 (0.57) HRH3SPHK2METALKSPHK1
Trifluoroacetic Acid SCHEMBL12095860 0.89 HRH3 (0.56) HRH3SPHK2METALKSPHK1

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
EP-1756051-A1 HISTAMINE H3 RECEPTOR AGENTS, PREPARATION AND THERAPEUTIC USES ELI LILLY AND COMPANY (US) 2007-02-28 EP claimed
WO-2005121080-A1 HISTAMINE H3 RECEPTOR AGENTS, PREPARATION AND THERAPEUTIC USES ELI LILLY AND COMPANY (US) 2005-12-22 WO claimed
EP-1756051-B1 Histamine H3 receptor agents, preparation and therapeutic uses LILLY CO ELI (US) 2012-09-12 EP disclosed