⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL11061774 | 0.73 | — | — | |
| SCHEMBL9021322 | 0.71 | — | — | |
| SCHEMBL8735658 | 0.69 | — | — | |
| SCHEMBL8983655 | 0.69 | — | — | |
| SCHEMBL711387 | 0.69 | — | — | |
| SCHEMBL9021371 | 0.69 | — | — | |
| SCHEMBL995469 | 0.69 | — | — | |
| SCHEMBL716186 | 0.67 | — | — | |
| SCHEMBL716185 | 0.67 | — | — | |
| SCHEMBL29715 | 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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| JP-61268643-A | — | — | None | — | — | JP | disclosed |
| US-20230311554-A1 | Thermosensitive Recording Material | NIPPON KAYAKU KABUSHIKI KAISHA (JP) | 2023-10-05 | — | — | US | disclosed |
| EP-4205990-A1 | THERMOSENSITIVE RECORDING MATERIAL | Nippon Kayaku Kabushiki Kaisha (JP) | 2023-07-05 | — | — | EP | disclosed |
| US-6218427-B1 | AS ENDOTHELIN RECEPTOR ANTAGONIST | SHIONOGI & CO., LTD. (JP) | 2001-04-17 | — | — | US | disclosed |
| EP-0924207-A1 | CHROMENE-3-CARBOXYLATE DERIVATIVES | SHIONOGI & CO., LTD. (JP) | 1999-06-23 | — | — | EP | disclosed |
| JP-S61268643-A | CIS(OR TRANS)-1-(1'(OR 2' OR 3')-FORMYLPROPOXY)-4-TERT-BUTYLCYCLOHEXANE AND PERFUMERY COMPOSITION CONTAINING SAME | KAO CORP | 1986-11-28 | — | — | JP | disclosed |
| US-4439229-A | Substituted phthalimides herbicides | ROHM AND HAAS COMPANY (US) | 1984-03-27 | — | — | US | disclosed |
| EP-0068822-A2 | Novel heterocyclic substituted benzenes, herbicidal compositions containing them and the use thereof for combating weeds | ROHM AND HAAS COMPANY (US) | 1983-01-05 | — | — | EP | disclosed |