SCHEMBL4596370

SCHEMBL4596370

N#CC1C=CC=CC1(Cl)[N+](=O)[O-]

nearest known ligand 0.00

⚠ Novel chemotype — no close known analogue (best Tanimoto < 0.3). Unexplored chemical space relative to ChEMBL.

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
SCHEMBL10686044 0.79
SCHEMBL7121982 0.76
SCHEMBL21239987 0.73
SCHEMBL6624705 0.72
SCHEMBL8809949 0.71
SCHEMBL2366613 0.69
SCHEMBL5319565 0.69
SCHEMBL11092600 0.68
SCHEMBL27814497 0.68
SCHEMBL15329088 0.68

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102596910-B Androgen receptor modulating compounds ORION CORP. (FI) 2015-11-25 CN disclosed
CN-105061313-A Androgen receptor modulating compounds ORION CORP 2015-11-18 CN disclosed
CN-101967146-B Aryl or heteroaryl fused imidazole compounds as anti-inflammatory and analgesic agents RAQUALIA PHARMA INC 2015-04-08 CN disclosed
EP-1874753-A2 COMPOUNDS, COMPOSITIONS AND METHODS SMITHKLINE BEECHAM CORPORATION (US) 2008-01-09 EP disclosed
WO-2006113432-A2 COMPOUNDS, COMPOSITIONS AND METHODS SMITHKLINE BEECHAM CORPORATION (US) 2006-10-26 WO disclosed