Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL5500517

O=C(O)C(F)(F)F.O=C(c1ccc(OCc2ccc(OC(F)(F)F)cc2)cc1)N1CCCC1CN1CCCC1

nearest known ligand 0.60

Full drug profile on Sugi Atlas →

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 12/20 0.60
SPHK2 Q9NRA0 2/20 0.52
MET P08581 3/20 0.51
ALK Q9UM73 1/20 0.49
POLB P06746 1/20 0.44
SPHK1 Q9NYA1 1/20 0.44

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 SCHEMBL5500523 1.00 HRH3 (0.60) HRH3SPHK2METALKPOLB
SCHEMBL3278791 0.96 HRH3 (0.64) HRH3SPHK2METPOLB
SCHEMBL3278795 0.96 HRH3 (0.64) HRH3SPHK2METPOLB
Trifluoroacetic Acid SCHEMBL3275219 0.92 HRH3 (0.54) HRH3SPHK2METALK
Trifluoroacetic Acid SCHEMBL3275221 0.92 HRH3 (0.54) HRH3SPHK2METALK
Trifluoroacetic Acid SCHEMBL3276369 0.91 HRH3 (0.53) HRH3SPHK2METALKPOLB
Trifluoroacetic Acid SCHEMBL3276313 0.91 HRH3 (0.56) HRH3SPHK2METALKPOLB
Trifluoroacetic Acid SCHEMBL3276363 0.91 HRH3 (0.53) HRH3SPHK2METALKPOLB
Trifluoroacetic Acid SCHEMBL3276315 0.91 HRH3 (0.56) HRH3SPHK2METALKPOLB
Trifluoroacetic Acid SCHEMBL12095860 0.90 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