⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9021879 | 0.73 | — | — | |
| SCHEMBL714141 | 0.71 | — | — | |
| SCHEMBL123788 | 0.69 | — | — | |
| SCHEMBL270156 | 0.69 | — | — | |
| SCHEMBL3375300 | 0.69 | — | — | |
| Propane SCHEMBL11380010 | 0.67 | TDP1 (0.35) | — | |
| SCHEMBL4780259 | 0.67 | — | — | |
| SCHEMBL5342295 | 0.67 | — | — | |
| Hydrochloric Acid SCHEMBL17870943 | 0.67 | — | — | |
| SCHEMBL27861566 | 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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| 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 |