⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1254886 | 0.95 | — | — | |
| Iodide SCHEMBL27432841 | 0.91 | — | — | |
| Hydrochloric Acid SCHEMBL27434357 | 0.91 | — | — | |
| Hydrochloric Acid SCHEMBL28613087 | 0.91 | — | — | |
| Bromide SCHEMBL1603033 | 0.91 | — | — | |
| Hexane SCHEMBL28367855 | 0.81 | TSHR (0.47) | — | |
| Diethylamine SCHEMBL11550268 | 0.78 | TP53 (0.53) | — | |
| SCHEMBL13054534 | 0.75 | — | — | |
| SCHEMBL13494310 | 0.72 | — | — | |
| SCHEMBL9743330 | 0.68 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-1318160-B1 | Catalysts and process for the preparation of isocyanurate group containing polyisocyanates and their use | DEGUSSA (DE) | 2007-09-26 | — | — | EP | claimed |
| EP-1318160-A1 | Catalysts and process for the preparation of isocyanurate group containing polyisocyanates and their use | Degussa AG (DE) | 2003-06-11 | — | — | EP | claimed |
| EP-1318160-B1 | Catalysts and process for the preparation of isocyanurate group containing polyisocyanates and their use | DEGUSSA (DE) | 2007-09-26 | — | — | EP | disclosed |
| EP-1318160-A1 | Catalysts and process for the preparation of isocyanurate group containing polyisocyanates and their use | Degussa AG (DE) | 2003-06-11 | — | — | EP | disclosed |