⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5964231 | 0.74 | DHFR (0.31) | — | |
| SCHEMBL11242973 | 0.72 | — | — | |
| SCHEMBL22878860 | 0.68 | — | — | |
| SCHEMBL11239453 | 0.67 | — | — | |
| SCHEMBL11248263 | 0.67 | — | — | |
| SCHEMBL22292470 | 0.65 | — | — | |
| SCHEMBL5964270 | 0.64 | — | — | |
| SCHEMBL4157345 | 0.64 | — | — | |
| SCHEMBL6052759 | 0.64 | — | — | |
| SCHEMBL16841469 | 0.64 | NOS3 (0.31) | — |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4345002-A | CYCLIC NITROGEN COMPOUND, HYDROXY CONTAINING ORGANO-PHOSPHORUS COMPOUND, AND A PHOSPHORUS CONTAINING ACID | GREAT LAKES CHEMICAL CORPORATION (US) | 1982-08-17 | — | — | US | disclosed |
| US-4241145-A | TRIAMINO-TRIAZINE, COPOLYCONDENSED VINYLPHOSPHONATE, A PHOSPHORUS-CONTAINING ACID AND WATER FIREPROOF WOOD SUBSTRATES | VELSICOL CHEMICAL CORPORATION (US) | 1980-12-23 | — | — | US | disclosed |
| US-4221837-A | MELAMINE DERAVITIVE, PHOSPHORUS POLYOL, ORGANOPHOSPHORUS ACID | VELSICOL CHEMICAL CORPORATION (US) | 1980-09-09 | — | — | US | disclosed |
| US-4210452-A | Novel intumescent composition | Veesicol Chemical Corporation (US) | 1980-07-01 | — | — | US | disclosed |
| EP-0008939-A2 | Intumescent composition | GREAT LAKES CHEMICAL CORPORATION (US) | 1980-03-19 | — | — | EP | disclosed |