SCHEMBL13626863

SCHEMBL13626863

CC(C)(C)c1cc(OP2n3cccc3Cc3cccn32)c2c(c1)C(C)(C)c1cc(C(C)(C)C)cc(OP3n4cccc4Cc4cccn43)c1O2

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
SCHEMBL14579599 0.87
SCHEMBL13637523 0.86
SCHEMBL13626867 0.85
SCHEMBL13626865 0.81
SCHEMBL13626886 0.81
SCHEMBL13626894 0.79
SCHEMBL13626898 0.78
SCHEMBL14579597 0.74
SCHEMBL13626900 0.73
SCHEMBL14579600 0.73

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-7615645-B2 Method for the continuous production of aldehydes BASF AKTIENGESELLSCHAFT (DE) 2009-11-10 US disclosed
EP-1539666-B1 METHOD FOR PRODUCING DIALDEHYDES AND/OR ETHYLENICALLY UNSATURATED MONOALDEHYDES BY HYDROFORMYLATING ETHYLENICALLY UNSATURATED COMPOUNDS BASF SE (DE) 2009-01-07 EP disclosed
EP-1678113-B1 METHOD FOR THE CONTINUOUS PRODUCTION OF ALDEHYDES BASF SE (DE) 2008-07-16 EP disclosed
US-20070083066-A1 Method for the production of 1,7-octadiene and use thereof BASF AKTIENGESELLSCHAFT (DE) 2007-04-12 US disclosed
US-20070083066-A1 Method for the production of 1,7-octadiene and use thereof BASF AKTIENGESELLSCHAFT (DE) 2007-04-12 US disclosed
US-7173138-B2 Ligands for pnicogen chelate complexes with a metal of subgroup VIII and use of the complexes as catalysts for hydroformylation, carbonylation, hydrocyanation or hydrogenation BASF AKTIENGESELLSCHAFT (DE) 2007-02-06 US disclosed
US-20070004939-A1 Method for the continuous production of aldehydes VOLLAND MARTIN 2007-01-04 US disclosed
US-20070004939-A1 Method for the continuous production of aldehydes VOLLAND MARTIN 2007-01-04 US disclosed