⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL28286812 | 0.97 | CA1 (0.38) | — | |
| Phosphoric Acid SCHEMBL3835102 | 0.79 | CA1 (0.45) | — | |
| SCHEMBL20471 | 0.74 | — | — | |
| SCHEMBL17459879 | 0.74 | — | — | |
| SCHEMBL31612460 | 0.72 | — | — | |
| SCHEMBL3420169 | 0.72 | — | — | |
| SCHEMBL19129661 | 0.72 | — | — | |
| SCHEMBL31406285 | 0.72 | — | — | |
| SCHEMBL11441750 | 0.72 | — | — | |
| SCHEMBL4405162 | 0.72 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-116936834-A | Electrode active material, preparation method thereof, electrolyte and application thereof | 巨安储能武汉科技有限责任公司 | 2023-10-24 | — | — | CN | disclosed |
| US-3933424-A | Modified sulfonated resin surfactants | WESTVACO CORPORATION (US) | 1976-01-20 | — | — | US | disclosed |