⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL11115125 | 1.00 | — | — | |
| SCHEMBL2762351 | 0.79 | — | — | |
| SCHEMBL10595937 | 0.79 | — | — | |
| SCHEMBL264513 | 0.79 | — | — | |
| SCHEMBL13678300 | 0.72 | — | — | |
| SCHEMBL12309935 | 0.72 | — | — | |
| SCHEMBL265303 | 0.72 | — | — | |
| SCHEMBL13128129 | 0.70 | — | — | |
| SCHEMBL9413971 | 0.69 | — | — | |
| SCHEMBL12251291 | 0.69 | — | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| JP-58065257-A | — | — | None | — | — | JP | disclosed |
| EP-0050285-B1 | INCORPORABLE REACTIVE BLOWING AGENTS CONTAINING MIXTURES OF POLYOLS, AND THEIR USE IN THE PRODUCTION OF FOAMED POLYURETHANES | BAYER AG (DE) | 1984-07-18 | — | — | EP | disclosed |
| JP-S5865257-A | PREPARATION OF L-THREONINE | BAIORISAAC CENTER:KK | 1983-04-18 | — | — | JP | disclosed |
| US-4352896-A | Polyol mixtures containing reactive blowing agents and use thereof for the production of foamed polyurethanes | BAYER AKTIENGESELLSCHAFT (DE) | 1982-10-05 | — | — | US | disclosed |