Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL3226733

COC(=O)C12CNCCC1C2.O=C(O)C(F)(F)F

nearest known ligand 0.33

Full drug profile on Sugi Atlas →

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
SSTR4 P31391 1/20 0.33
HRH4 Q9H3N8 2/20 0.32
HRH3 Q9Y5N1 2/20 0.32
PKM P14618 1/20 0.30

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
SCHEMBL13537412 0.89 EPHX1 (0.31)
SCHEMBL17453649 0.74 CHRNB2 (0.32)
SCHEMBL17453650 0.74 CHRNB2 (0.32)
SCHEMBL31721761 0.74 CHRNB2 (0.32)
Hydrochloric Acid SCHEMBL15416120 0.73 CHRNB2 (0.32)
SCHEMBL15415008 0.72 POLB (0.38) PKM
Hydrochloric Acid SCHEMBL16909553 0.71 POLB (0.37) PKM
Trifluoroacetic Acid SCHEMBL21111207 0.70 PKM (0.34) SSTR4HRH4HRH3PKM
Trifluoroacetic Acid SCHEMBL29651364 0.68 GABRP (0.45) HRH4HRH3PKM
Trifluoroacetic Acid SCHEMBL6209474 0.68 GABRP (0.45) HRH4HRH3PKM

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-2010007032-A1 PIPERIDINE BASED UREAS AS NK1 ANTAGONISTS GLAXO WELLCOME MANUFACTURING PTE LTD (SG) 2010-01-21 WO disclosed