⚠ 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 | |
|---|---|---|---|---|
| Methane SCHEMBL11661982 | 0.75 | — | — | |
| Butane SCHEMBL3179772 | 0.69 | — | — | |
| Butane SCHEMBL4150351 | 0.69 | HSD17B10 (0.31) | — | |
| SCHEMBL11480310 | 0.67 | — | — | |
| Methane SCHEMBL11661515 | 0.66 | — | — | |
| SCHEMBL11778747 | 0.64 | FDPS (0.32) | — | |
| Butane SCHEMBL712996 | 0.63 | — | — | |
| Butane SCHEMBL27301811 | 0.63 | ALDH1A1 (0.30) | — | |
| Butane SCHEMBL11429688 | 0.62 | — | — | |
| Butane SCHEMBL3165890 | 0.62 | METAP1 (0.30) | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0008939-B1 | INTUMESCENT COMPOSITION | GREAT LAKES CHEMICAL CORPORATION (US) | 1983-02-16 | — | — | EP | disclosed |
| 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 |
| EP-0008939-A2 | Intumescent composition | GREAT LAKES CHEMICAL CORPORATION (US) | 1980-03-19 | — | — | EP | disclosed |