⚠ 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 | |
|---|---|---|---|---|
| Butanedione SCHEMBL1867426 | 0.88 | TSHR (1.00) | — | |
| Butanedione SCHEMBL20472 | 0.88 | — | — | |
| Butanedione SCHEMBL7892720 | 0.82 | — | — | |
| Butanedione SCHEMBL3398297 | 0.82 | — | — | |
| Butanedione SCHEMBL2916949 | 0.82 | — | — | |
| Butanedione SCHEMBL7168436 | 0.82 | — | — | |
| Butanedione SCHEMBL1673412 | 0.82 | — | — | |
| Butanedione SCHEMBL15352914 | 0.82 | — | — | |
| Butanedione SCHEMBL3179780 | 0.82 | — | — | |
| Butanedione SCHEMBL3831305 | 0.82 | — | — |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7691929-B2 | Flame retardant compositions | CIBA SPECIALTY CHEMICALS CORPORATION (US) | 2010-04-06 | — | — | US | disclosed |
| US-20090186970-A1 | Flame retardant compositions | RONAN NICOLAS | 2009-07-23 | — | — | US | disclosed |
| EP-1668073-B1 | FLAME RETARDANT COMPOSITIONS | CIBA HOLDING INC (CH) | 2009-04-29 | — | — | EP | disclosed |
| US-20070029531-A1 | Flame retardant compositions | CIBA SPECIALTY CHEMICALS CORP. | 2007-02-08 | — | — | US | disclosed |
| EP-1668073-A2 | FLAME RETARDANT COMPOSITIONS | Ciba SC Holding AG (CH) | 2006-06-14 | — | — | EP | disclosed |
| WO-2005030852-A2 | FLAME RETARDANT COMPOSITIONS | CIBA SPECIALTY CHEMICALS HOLDING INC. (CH) | 2005-04-07 | — | — | WO | disclosed |