⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL134292 | 0.82 | NAAA (0.31) | — | |
| SCHEMBL11311478 | 0.80 | — | — | |
| SCHEMBL6700647 | 0.80 | — | — | |
| SCHEMBL3490118 | 0.80 | — | — | |
| SCHEMBL18533564 | 0.80 | — | — | |
| SCHEMBL27676 | 0.80 | — | — | |
| Octane SCHEMBL4304211 | 0.80 | — | — | |
| SCHEMBL27458764 | 0.79 | — | — | |
| SCHEMBL22830372 | 0.76 | — | — | |
| SCHEMBL8983679 | 0.76 | NAAA (0.36) | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1229016-B1 | Catalyst and process for the preparation of isocyanate groups containing polyisocyanates with low viscosity and reduced colour | DEGUSSA (DE) | 2006-01-11 | — | — | EP | disclosed |
| EP-1229016-A2 | Catalyst and process for the preparation of isocyanate groups containing polyisocyanates with low viscosity and reduced colour | Degussa AG (DE) | 2002-08-07 | — | — | EP | disclosed |