⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5439365 | 0.73 | — | — | |
| SCHEMBL29492 | 0.70 | — | — | |
| SCHEMBL2058498 | 0.67 | — | — | |
| Ethylene Glycol SCHEMBL12004367 | 0.65 | — | — | |
| SCHEMBL770076 | 0.64 | — | — | |
| SCHEMBL1650987 | 0.64 | — | — | |
| SCHEMBL108349 | 0.64 | — | — | |
| SCHEMBL8827236 | 0.64 | — | — | |
| SCHEMBL24771424 | 0.64 | ALDH1A1 (0.33) | — | |
| SCHEMBL18559536 | 0.64 | MAPK1 (0.34) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-20070043132-A1 | Catalyst and process for producing a rigid polyurethane foam | TOSOH CORPORATION (JP) | 2007-02-22 | — | — | US | disclosed |
| US-20040082465-A1 | Catalyst and process for producing a rigid polyurethane foam | TOSOH CORPORATION (JP) | 2004-04-29 | — | — | US | disclosed |
| EP-1382624-A1 | Catalyst and process for producing a rigid polyurethane foam | Tosoh Corporation (JP) | 2004-01-21 | — | — | EP | disclosed |