SCHEMBL4415100

SCHEMBL4415100

CCCCc1nnnn1C(F)(F)C(F)(F)F

nearest known ligand 0.36

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.36
GABRA2 P47869 1/20 0.31
GABRB2 P47870 1/20 0.31
GLA P06280 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
SCHEMBL4413082 0.95 ALDH1A1 (0.33) ALDH1A1GABRA2GABRB2
SCHEMBL4408216 0.93 GABRA2 (0.34) ALDH1A1GABRA2GABRB2
SCHEMBL4406600 0.89 ALDH1A1 (0.36) ALDH1A1
SCHEMBL4412051 0.86 ALDH1A1 (0.38) ALDH1A1GABRA2GABRB2
SCHEMBL4407121 0.82 ALDH1A1 (0.38) ALDH1A1
SCHEMBL4408984 0.81 ALDH1A1 (0.35) ALDH1A1GABRA2GABRB2
SCHEMBL4405392 0.80 ALDH1A1 (0.51) ALDH1A1
SCHEMBL4405974 0.79 GABRA2 (0.35) ALDH1A1GABRA2GABRB2
SCHEMBL4408382 0.79 ALDH1A1 (0.38) ALDH1A1GABRA2GABRB2
SCHEMBL4407877 0.76 ALDH1A1 (0.36) ALDH1A1

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