SCHEMBL548277

SCHEMBL548277

CN1C2=C(C=C3C=CC=CC31)CCC=C2

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
SCHEMBL24102955 0.67
SCHEMBL21023684 0.63
SCHEMBL1384945 0.62
SCHEMBL21913465 0.60
SCHEMBL13782775 0.58
SCHEMBL23183103 0.57
SCHEMBL20708119 0.57
SCHEMBL15196963 0.57
SCHEMBL385192 0.56
SCHEMBL23766474 0.56

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9181188-B2 Aryl ureas as kinase inhibitors BAYER HEALTHCARE LLC (US) 2015-11-10 US disclosed
US-20120136157-A1 ARYL UREAS AS KINASE INHIBITORS DUMAS JACQUES (US) 2012-05-31 US disclosed
EP-1580188-B9 Aryl ureas as kinase inhibitors BAYER HEALTHCARE LLC (US) 2012-05-23 EP disclosed
US-8110587-B2 Antiinflammatory agents; anticancer agents; osteoporosis BAYER HEALTHCARE LLC (US) 2012-02-07 US disclosed
EP-1580188-B1 Aryl ureas as kinase inhibitors BAYER HEALTHCARE LLC (US) 2011-10-19 EP disclosed
EP-1580188-A1 Aryl ureas as kinase inhibitors Bayer Pharmaceuticals Corporation (US) 2005-09-28 EP disclosed
EP-1474393-A1 ARYL UREAS AS KINASE INHIBITORS Bayer Pharmaceuticals Corporation (US) 2004-11-10 EP disclosed
US-20030216446-A1 Aryl ureas as kinase inhibitors BAYER CORPORATION (US) 2003-11-20 US disclosed
WO-2003068746-A1 ARYL UREAS AS KINASE INHIBITORS BAYER PHARMACEUTICALS CORPORATION (US) 2003-08-21 WO disclosed