SCHEMBL4604835

SCHEMBL4604835

C1=CC(c2ccccc2)(N(c2ccccc2)c2cccc3ccccc23)CC=C1c1ccc(N(c2ccccc2)c2cccc3ccccc23)cc1.c1ccc(N(c2ccc(-c3ccc(N(c4ccccc4)c4ccc5cccc6c5c4CC6)cc3)cc2)c2ccc3cccc4c3c2CC4)cc1.c1ccc(N(c2ccc(-c3ccc(N(c4ccccc4)c4ccc5ccccc5c4)cc3)cc2)c2ccc3ccccc3c2)cc1

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
SCHEMBL2909290 0.91
SCHEMBL1042270 0.84 SIGMAR1 (0.30)
SCHEMBL3639121 0.84 CYP11B1 (0.33)
SCHEMBL5134039 0.84 CYP11B1 (0.33)
SCHEMBL5342911 0.84 CYP11B1 (0.33)
SCHEMBL4610919 0.82 CYP11B1 (0.32)
SCHEMBL4602835 0.81
SCHEMBL1042526 0.80
SCHEMBL26088275 0.78
SCHEMBL3633903 0.78 CYP11B1 (0.36)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1940995-A1 ORGANIC ELEMENT FOR LOW VOLTAGE ELECTROLUMINESCENT DEVICES EASTMAN KODAK COMPANY (US) 2008-07-09 EP disclosed
WO-2007050303-A1 ORGANIC ELEMENT FOR LOW VOLTAGE ELECTROLUMINESCENT DEVICES EASTMAN KODAK COMPANY (US) 2007-05-03 WO disclosed
EP-1779446-A1 DESSICANT FOR TOP-EMITTING OLED EASTMAN KODAK COMPANY (US) 2007-05-02 EP disclosed
WO-2007005227-A1 ELECTROLUMINESCENT DEVICES CONTAINING BENZIDINE DERIVATIVES EASTMAN KODAK COMPANY (US) 2007-01-11 WO disclosed
WO-2006019857-A1 DESSICANT FOR TOP-EMITTING OLED EASTMAN KODAK COMPANY (US) 2006-02-23 WO disclosed
WO-2005101914-A1 ORGANIC ELEMENT FOR ELECTROLUMINESCENT DEVICES EASTMAN KODAK COMPANY (US) 2005-10-27 WO disclosed
WO-2005057678-A1 ORGANIC ELECTROLUMINESCENT DEVICES WITH ADDITIVE EASTMAN KODAK COMPANY (US) 2005-06-23 WO disclosed
WO-2005056713-A1 ORGANIC ELEMENT FOR ELECTROLUMINESCENT DEVICES EASTMAN KODAK COMPANY (US) 2005-06-23 WO disclosed
WO-2005057680-A1 ORGANIC ELEMENT FOR ELECTROLUMINESCENT DEVICES EASTMAN KODAK COMPANY (US) 2005-06-23 WO disclosed
WO-2005056715-A1 ORGANIC ELEMENT FOR ELECTROLUMINESCENT DEVICES EASTMAN KODAK COMPANY (US) 2005-06-23 WO disclosed