⚠ 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.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| Glycerin SCHEMBL12003002 | 0.83 | ALDH1A1 (0.39) | — | |
| SCHEMBL672871 | 0.81 | CYP2C19 (0.33) | — | |
| SCHEMBL11791371 | 0.81 | — | — | |
| SCHEMBL5155255 | 0.79 | — | — | |
| SCHEMBL7965311 | 0.77 | — | — | |
| SCHEMBL27697663 | 0.76 | — | — | |
| Bisphenol A SCHEMBL8775284 | 0.76 | ESR1 (0.57) | — | |
| SCHEMBL11236068 | 0.75 | — | — | |
| SCHEMBL1046312 | 0.75 | NUDT1 (0.31) | — | |
| SCHEMBL18786297 | 0.75 | — | — |
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 17 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8058322-B2 | Flame-retardant flexible polyurethane foam | ICL-IP AMERICA INC. (US) | 2011-11-15 | — | — | US | disclosed |
| US-20090281205-A1 | Flame-retardant flexible polyurethane foam | ICL-IP AMERICA INC. | 2009-11-12 | — | — | US | disclosed |
| US-7507830-B2 | Process for preparing unsymmetrical biaryls and alkylated aromatic compounds from arylnitriles | PHARMACORE, INC. (US) | 2009-03-24 | — | — | US | disclosed |
| EP-1885788-A2 | FLAME-RETARDANT FLEXIBLE POLYURETHANE FOAM | Supresta LLC (US) | 2008-02-13 | — | — | EP | disclosed |
| WO-2007001717-A9 | FLAME-RETARDANT FLEXIBLE POLYURETHANE FOAM | SUPRESTA LLC (US) | 2007-05-24 | — | — | WO | disclosed |
| WO-2007001717-A2 | FLAME-RETARDANT FLEXIBLE POLYURETHANE FOAM | SUPRESTA LLC (US) | 2007-01-04 | — | — | WO | disclosed |
| US-6962999-B2 | Process for preparing unsymmetrical biaryls and alkylated aromatic compounds from arylnitriles | PHARMACORE, INC. (US) | 2005-11-08 | — | — | US | disclosed |
| US-20050124808-A1 | Process for preparing unsymmetrical biaryls and alkylated aromatic compounds from arylnitriles | DSM I.P. ASSETS B.V. (NL) | 2005-06-09 | — | — | US | disclosed |
| US-20030100760-A1 | Process for preparing unsymmetrical biaryls and alkylated aromatic compounds from arylnitriles | DSM N.V. (NL) | 2003-05-29 | — | — | US | disclosed |
| EP-1279656-A2 | Process for preparing unsymmetrical biaryls and alkylated aromatic compounds from arylnitriles | DSM N.V. (NL) | 2003-01-29 | — | — | EP | disclosed |
| EP-0874857-A1 | SYNTHESIS OF POLYMERISABLE PHOSPHODIESTERS | BIOCOMPATIBLES LIMITED (GB) | 1998-11-04 | — | — | EP | disclosed |
| WO-1997014703-A1 | SYNTHESIS OF POLYMERISABLE PHOSPHODIESTERS | BIOCOMPATIBLES LIMITED (GB) | 1997-04-24 | — | — | WO | disclosed |
| US-5225467-A | Heat resistance | WITCO CORPORATION (US) | 1993-07-06 | — | — | US | disclosed |
| EP-0540270-A1 | Cellulose ester resin stabilizer and cellulose ester resin compositions stabilized therewith | WITCO CORPORATION (US) | 1993-05-05 | — | — | EP | disclosed |
| US-4420437-A | Preparation of a 2-aralkyl-5,5-dialkyl-1,3,2-dioxaphosphorinan-2-one from 2-aralkoxy-5,5-dialkyl-1,3,2-dioxaphosphorinane | WITCO CHEMICAL CORPORATION (US) | 1983-12-13 | — | — | US | disclosed |
| US-4228063-A | Flame-retardant, polyphenylene-ether resin compositions containing a 2,5,5-trisubstituted 1,3,2-dioxaphosphorinane-2-oxide | AMERICAN CYANAMID COMPANY (US) | 1980-10-14 | — | — | US | disclosed |
| US-4097547-A | BARIUM CARBONATE, STRONTIUM CARBONATE AND/OR CALCIUM CARBONATE AS STABILIZERS | MOBAY CHEMICAL CORPORATION (US) | 1978-06-27 | — | — | US | disclosed |