SCHEMBL3936067

SCHEMBL3936067

c1nc2c(s1)OCCO2

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
SCHEMBL17329382 0.70
SCHEMBL25222941 0.67 MAP3K14 (0.32)
SCHEMBL24075136 0.63
SCHEMBL25203490 0.63 P2RX7 (0.42)
SCHEMBL25224764 0.63
SCHEMBL24075837 0.63 P2RX7 (0.42)
SCHEMBL24075728 0.63 P2RX7 (0.42)
SCHEMBL17961250 0.54 ITGB2 (0.42)
SCHEMBL39954 0.54
SCHEMBL16053482 0.52 ITGB2 (0.40)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8980938-B2 CXCR2 inhibitors SANOFI (FR) 2015-03-17 US disclosed
US-8501981-B2 CXCR2 inhibitors SANOFI (FR) 2013-08-06 US disclosed
US-20090258936-A1 CXCR2 INHIBITORS SANOFI-AVENTIS (FR) 2009-10-15 US disclosed
US-20090227625-A1 CXCR2 INHIBITORS SANOFI-AVENTIS (FR) 2009-09-10 US disclosed
EP-2041073-A1 CXCR2 INHIBITORS Sanofi-Aventis (FR) 2009-04-01 EP disclosed
EP-2040688-A1 NEW CXCR2 INHIBITORS Sanofi-Aventis (FR) 2009-04-01 EP disclosed
WO-2008000410-A1 CXCR2 INHIBITORS SANOFI-AVENTIS (FR) 2008-01-03 WO disclosed
WO-2008000409-A1 NEW CXCR2 INHIBITORS SANOFI-AVENTIS (FR) 2008-01-03 WO disclosed