SCHEMBL13669672

SCHEMBL13669672

BC(=O)CCBr

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
SCHEMBL28956079 0.74 ALDH1A1 (0.41)
SCHEMBL25423053 0.74 ALDH1A1 (0.41)
SCHEMBL30138123 0.74 ALDH1A1 (0.41)
SCHEMBL9748897 0.74 ALDH1A1 (0.41)
SCHEMBL8225575 0.72
SCHEMBL10568538 0.69 LMNA (0.43)
SCHEMBL3098037 0.69
SCHEMBL16401862 0.67
SCHEMBL28472 0.67
SCHEMBL25204917 0.67

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7605151-B2 angiogenesis inhibitor; antiinflammatory agents; immunosuppressants; steroids conjugated compound NICOX S.A. (FR) 2009-10-20 US disclosed
US-20080234242-A1 NITRATE ESTERS OF CORTICOID COMPOUNDS AND PHARMACEUTICAL APPLICATIONS THEREOF NICOX S.A. (FR) 2008-09-25 US disclosed
US-7368442-B2 Nitrate esters of corticoid compounds and pharmaceutical applications thereof NICOX S.A. (FR) 2008-05-06 US disclosed
US-20070161612-A1 Nitrate esters of corticoid compounds and pharmaceutical applications thereof NICOX S.A. 2007-07-12 US disclosed
US-7205288-B2 Nitrate esters of corticoid compounds and pharmaceutical applications thereof NICOX S.A. (FR) 2007-04-17 US disclosed
US-7160871-B2 Nitrate esters of corticoid compounds and pharmaceutical applications thereof NICOX S.A. (FR) 2007-01-09 US disclosed
US-7157450-B2 Nitrate esters of corticoid compounds and pharmaceutical applications thereof NICOX S.A. (FR) 2007-01-02 US disclosed