SCHEMBL3961954

SCHEMBL3961954

Pc1ccccc1.[LiH].[LiH]

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
SCHEMBL10477500 1.00
Benzene SCHEMBL28128746 0.96 ALDH1A1 (0.43)
SCHEMBL49436 0.96
Iodide SCHEMBL7651864 0.92
Water SCHEMBL22231695 0.92
Hydrogen Sulfide SCHEMBL18423121 0.92
Fluoride SCHEMBL8464428 0.92
SCHEMBL20597177 0.92 ALDH1A1 (0.40)
Bromide SCHEMBL10514507 0.92 ALDH1A1 (0.40)
SCHEMBL5852006 0.92

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2081541-B1 MICROENCAPSULATED PHOTO-INITIATORS AND THE USE THEREOF FOR DENTAL MATERIALS IVOCLAR VIVADENT AG (LI) 2012-07-04 EP disclosed
EP-2081541-A1 MICROENCAPSULATED PHOTO-INITIATORS AND THE USE THEREOF FOR DENTAL MATERIALS Ivoclar Vivadent AG (LI) 2009-07-29 EP disclosed
WO-2008049839-A1 MICROENCAPSULATED PHOTO-INITIATORS AND THE USE THEREOF FOR DENTAL MATERIALS IVOCLAR VIVADENT AG (LI) 2008-05-02 WO disclosed
EP-1651655-B1 A PROCESS FOR THE PREPARATION OF ACYLPHOSPHINES BASF SE (DE) 2008-04-02 EP disclosed
US-7214830-B2 Process for the preparation of acylphosphines, acyl oxides and acyl sulfides CIBA SPECIALTY CHEMICALS CORPORATION (US) 2007-05-08 US disclosed
US-20060229469-A1 Process for the preparation of acylphosphines BASF AKTIENGESELLSCHAFT (DE) 2006-10-12 US disclosed
US-7094931-B2 Process for the preparation of acylphosphines, acyl oxides and acyl sulfides CIBA SPECIALTY CHEMICALS CORPORATION (US) 2006-08-22 US disclosed
EP-1135399-B2 PROCESS FOR PREPARING ACYLPHOSPHINES AND DERIVATIVES CIBA SC HOLDING AG (CH) 2006-08-09 EP disclosed
US-20060128959-A1 Process for the preparation of acylphosphines, acyl oxides and acyl sulfides IGM GROUP B.V. (NL) 2006-06-15 US disclosed
EP-1651655-A1 A PROCESS FOR THE PREPARATION OF ACYLPHOSPHINES BASF AKTIENGESELLSCHAFT (DE) 2006-05-03 EP disclosed
US-6888031-B1 Process for the preparation of acylphosphines, acyl oxides and acyl sulfides CIBA SPECIALTY CHEMICALS CORPORATION (US) 2005-05-03 US disclosed
WO-2005014606-A1 A PROCESS FOR THE PREPARATION OF ACYLPHOSPHINES BASF AKTIENGESELLSCHAFT (DE) 2005-02-17 WO disclosed
US-20040248855-A1 Process for the preparation of acylphosphines, acyl oxides and acyl sulfides IGM GROUP B.V. (NL) 2004-12-09 US disclosed
EP-1135399-B1 PROCESS FOR PREPARING ACYLPHOSPHINES AND DERIVATIVES CIBA SC HOLDING AG (CH) 2002-08-07 EP disclosed
EP-1135399-A1 PROCESS FOR PREPARING ACYLPHOSPHINES AND DERIVATIVES Ciba SC Holding AG (CH) 2001-09-26 EP disclosed
WO-2000032612-A1 PROCESS FOR PREPARING ACYLPHOSPHINES AND DERIVATIVES CIBA SPECIALTY CHEMICALS HOLDING INC. (CH) 2000-06-08 WO disclosed