⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL19809934 | 1.00 | — | — | |
| SCHEMBL28274476 | 0.87 | — | — | |
| SCHEMBL28183390 | 0.87 | — | — | |
| SCHEMBL27765482 | 0.87 | — | — | |
| SCHEMBL28127731 | 0.87 | — | — | |
| SCHEMBL7947535 | 0.82 | — | — | |
| SCHEMBL706635 | 0.82 | — | — | |
| SCHEMBL29264793 | 0.82 | — | — | |
| SCHEMBL140677 | 0.82 | — | — | |
| SCHEMBL94968 | 0.82 | — | — |
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-117447071-A | CaTiSiO 5 Glass, and preparation method and application thereof | 中国科学院上海硅酸盐研究所 | 2024-01-26 | — | — | CN | disclosed |
| US-4251268-A | Method of treating boron-containing steel | CONCAST AG (CH) | 1981-02-17 | — | — | US | disclosed |