Sugi Predict

Sugi Predict / Compounds / Trifluoroacetic Acid

Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL7590576

NCOOCCCCOC(=O)CN.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F

nearest known ligand 0.47

Full drug profile on Sugi Atlas →

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ CA12 O43570 2/20 0.37
▸ CA1 P00915 2/20 0.37
▸ CA2 P00918 2/20 0.37
▸ CA9 Q16790 2/20 0.37
▸ HTR2C P28335 1/20 0.35
▸ NAAA Q02083 1/20 0.31
▸ HDAC1 Q13547 1/20 0.30
▸ HDAC2 Q92769 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
SCHEMBL6682800 0.75 HTR2C (0.50) HTR2CNAAA
Trifluoroacetic Acid SCHEMBL30293182 0.75 CA12 (0.34) CA12CA1CA2CA9
Hydrochloric Acid SCHEMBL11847967 0.71 HTR2C (0.52) HTR2CNAAA
SCHEMBL5496994 0.71 HTR2C (0.45) HTR2CNAAA
Trifluoroacetic Acid SCHEMBL27519761 0.71 CYP1A2 (0.45) HDAC1
Trifluoroacetic Acid SCHEMBL10952565 0.71 HTT (0.43) CA1CA2CA9
SCHEMBL18249514 0.69 HTR2C (0.46) CA12CA1CA2CA9HTR2C
Hydrochloric Acid SCHEMBL28234487 0.69 HTR2C (0.44) HTR2CNAAA
SCHEMBL30782968 0.69 NFKB1 (0.50) HTR2CHDAC1HDAC2
SCHEMBL18295865 0.68 HTR2C (0.48) CA12CA1CA2CA9HTR2C

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-2002053526-A1 NEW COMPOUNDS FOR USE AS INTERMEDIATES IN LINEAR BLOCK POLYMER AND NEW LINEAR BLOCK POLYMER ARTIMPLANT AB (SE) 2002-07-11 — — WO disclosed