⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL897123 | 0.95 | — | — | |
| SCHEMBL29077784 | 0.91 | — | — | |
| Hydrochloric Acid SCHEMBL22190206 | 0.91 | — | — | |
| SCHEMBL7303577 | 0.91 | — | — | |
| Hydroxyamine SCHEMBL31745587 | 0.87 | — | — | |
| Benzene SCHEMBL3279140 | 0.84 | CA2 (0.46) | — | |
| SCHEMBL27432962 | 0.73 | CA5A (0.42) | — | |
| SCHEMBL11207436 | 0.73 | CA5A (0.42) | — | |
| SCHEMBL851841 | 0.70 | — | — | |
| SCHEMBL5093119 | 0.70 | — | — |
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-4251605-A | FOR BATTERIES | ASAHI KASEI KOGYO KABUSHIKI KAISHA (JP) | 1981-02-17 | — | — | US | disclosed |
| US-4177150-A | IMPROVED MECHANICAL PROPERTIES | ASAHI KASEI KOGYO KABUSHIKI KAISHA (JP) | 1979-12-04 | — | — | US | disclosed |