SCHEMBL9707328

SCHEMBL9707328

CC1C=CC=C([N+](=O)[O-])C1(C)[N+](=O)[O-]

nearest known ligand 0.31

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ACHE P22303 2/20 0.31
HSD17B10 Q99714 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
SCHEMBL9319793 0.81
SCHEMBL8713775 0.70
SCHEMBL9119487 0.67 NFKB1 (0.35) ACHEHSD17B10
SCHEMBL4445312 0.66
SCHEMBL10444149 0.64
SCHEMBL10964461 0.64
SCHEMBL1899235 0.63
SCHEMBL9712523 0.62
SCHEMBL8713400 0.62 ALDH1A1 (0.30)
SCHEMBL8233035 0.62

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0493638-A1 Novel composite explosives and method for making them UNION ESPANOLA DE EXPLOSIVOS S.A. (ES) 1992-07-08 EP claimed
CN-100522128-C Keratin dyeing compounds, keratin dyeing compositions containing them and their use PROCTER & GAMBLE (US) 2009-08-05 CN disclosed
CN-1953730-A Keratin dyeing compounds, keratin dyeing compositions containing them, and use thereof PROCTER & GAMBLE (US) 2007-04-25 CN disclosed
EP-0493638-A1 Novel composite explosives and method for making them UNION ESPANOLA DE EXPLOSIVOS S.A. (ES) 1992-07-08 EP disclosed