SCHEMBL4408149

SCHEMBL4408149

CCc1nnnn1C(F)(F)F

nearest known ligand 0.40

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.40
HDAC1 Q13547 1/20 0.31
HDAC6 Q9UBN7 1/20 0.31

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
SCHEMBL4412052 0.83 ALDH1A1 (0.38) ALDH1A1
SCHEMBL4407121 0.83 ALDH1A1 (0.38) ALDH1A1
SCHEMBL4412051 0.80 ALDH1A1 (0.38) ALDH1A1
SCHEMBL4416287 0.80 ALDH1A1 (0.58) ALDH1A1HDAC1HDAC6
SCHEMBL4403762 0.79 ALDH1A1 (0.38) ALDH1A1HDAC1HDAC6
SCHEMBL4403688 0.78 ALDH1A1 (0.40) ALDH1A1
SCHEMBL4408385 0.78 ALDH1A1 (0.33) ALDH1A1
SCHEMBL4411125 0.75 ALDH1A1 (0.38) ALDH1A1
SCHEMBL4410890 0.70 NOTUM (0.35)
SCHEMBL4411152 0.70

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
EP-1859782-B1 Composition for coloring and/or lightening human hair comprising tetrazoles HENKEL AG & CO KGAA (DE) 2009-12-30 EP disclosed
EP-1859782-A1 Composition for coloring and/or lightening human hair comprising tetrazoles Henkel Kommanditgesellschaft auf Aktien (DE) 2007-11-28 EP disclosed