SCHEMBL2044280

SCHEMBL2044280

CC(C)O[Ti+3].CC(C)O[Ti+3].[BH4-].[BH4-].[BH4-].[BH4-].[BH4-].[BH4-]

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
SCHEMBL29566379 0.95
Iodide SCHEMBL1960465 0.90
Hydrochloric Acid SCHEMBL1361615 0.90
SCHEMBL2020539 0.90
SCHEMBL3836952 0.57
SCHEMBL45125 0.56
SCHEMBL28095 0.56
SCHEMBL1296 0.56
SCHEMBL10940023 0.56
SCHEMBL7240952 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 18 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8273802-B2 Silicones formed from an oxygen permeable component and a vinyl carbonate, carbamate ester or amide beta-substituted vinyl pyrrolidone; improve wettability of the lens without a surface treatment JOHNSON & JOHNSON VISION CARE, INC. (US) 2012-09-25 US disclosed
US-7956131-B2 Lactam polymer derivatives JOHNSON & JOHNSON VISION CARE, INC. (US) 2011-06-07 US disclosed
US-20100171923-A1 LACTAM POLYMER DERIVATIVES JOHSNON & JOHNSON VISION CARE, INC. 2010-07-08 US disclosed
US-7473738-B2 Lactam polymer derivatives JOHNSON & JOHNSON VISION CARE, INC. (US) 2009-01-06 US disclosed
US-20080275156-A1 WETTABLE HYDROGELS COMPRISING REACTIVE, HYDROPHILIC, POLYMERIC INTERNAL WETTING AGENTS JOHNSON & JOHNSON VISION CARE, INC. 2008-11-06 US disclosed
EP-1800150-B1 WETTABLE HYDROGELS COMPRISING REACTIVE, HYDROPHILIC, POLYMERIC INTERNAL WETTING AGENTS JOHNSON & JOHNSON VISION CARE (US) 2008-08-06 EP disclosed
US-20070290174-A1 LACTAM POLYMER DERIVATIVES JOHNSON & JOHNSON VISION CARE, INC. 2007-12-20 US disclosed
US-7249848-B2 Wettable hydrogels comprising reactive, hydrophilic, polymeric internal wetting agents JOHNSON & JOHNSON VISION CARE, INC. (US) 2007-07-31 US disclosed
EP-1800150-A1 WETTABLE HYDROGELS COMPRISING REACTIVE, HYDROPHILIC, POLYMERIC INTERNAL WETTING AGENTS Johnson & Johnson Vision Care, Inc. (US) 2007-06-27 EP disclosed
EP-1799724-A2 LACTAM POLYMER DERIVATIVES Johnson and Johnson Vision Care, Inc. (US) 2007-06-27 EP disclosed
US-7195882-B2 Monoclonal antibodies specific for buprenorphine and metabolites thereof ROCHE DIAGNOSTICS OPERATIONS, INC. (US) 2007-03-27 US disclosed
WO-2006039466-A1 WETTABLE HYDROGELS COMPRISING REACTIVE, HYDROPHILIC, POLYMERIC INTERNAL WETTING AGENTS JOHNSON & JOHNSON VISION CARE, INC. (US) 2006-04-13 WO disclosed
WO-2006039276-A2 LACTAM POLYMER DERIVATIVES JOHNSON & JOHNSON VISION CARE, INC. (US) 2006-04-13 WO disclosed
US-20060072069-A1 Wettable hydrogels comprising reactive, hydrophilic, polymeric internal wetting agents JOHNSON & JOHNSON VISION CARE, INC. 2006-04-06 US disclosed
US-20060069235-A1 Lactam polymer derivatives JOHNSON & JOHNSON VISION CARE, INC. 2006-03-30 US disclosed
EP-1633788-A2 MONOCLONAL ANTIBODIES SPECIFIC FOR BUPRENORPHINE AND METABOLITES THEREOF Roche Diagnostics GmbH (DE) 2006-03-15 EP disclosed
US-20040248222-A1 Monoclonal antibodies specific for buprenorphine and metabolites thereof ROCHE DIAGNOSTICS CORPORATION 2004-12-09 US disclosed
WO-2004106385-A2 MONOCLONAL ANTIBODIES SPECIFIC FOR BUPRENORPHINE AND METABOLITES THEREOF ROCHE DIAGNOSTICS GMBH (DE) 2004-12-09 WO disclosed