⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL587725 | 0.72 | — | — | |
| SCHEMBL3394248 | 0.72 | — | — | |
| SCHEMBL34509 | 0.71 | — | — | |
| SCHEMBL1991850 | 0.71 | — | — | |
| SCHEMBL28419352 | 0.69 | — | — | |
| Ethylene SCHEMBL28036632 | 0.68 | — | — | |
| Water SCHEMBL3259208 | 0.68 | — | — | |
| SCHEMBL28997373 | 0.67 | — | — | |
| SCHEMBL196965 | 0.67 | — | — | |
| SCHEMBL1350261 | 0.67 | — | — |
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-1112995-A1 | ALICYCLIC COMPOUNDS AND CURABLE RESIN COMPOSITION | Nissan Chemical Industries, Ltd. (JP) | 2001-07-04 | — | — | EP | claimed |
| EP-1112995-B1 | ALICYCLIC COMPOUNDS AND CURABLE RESIN COMPOSITION | NISSAN CHEMICAL IND LTD (JP) | 2007-04-11 | — | — | EP | disclosed |
| EP-1112995-A1 | ALICYCLIC COMPOUNDS AND CURABLE RESIN COMPOSITION | Nissan Chemical Industries, Ltd. (JP) | 2001-07-04 | — | — | EP | disclosed |