⚠ 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 | |
|---|---|---|---|---|
| Oxirane SCHEMBL2059445 | 1.00 | — | — | |
| SCHEMBL7180479 | 0.93 | TTR (0.86) | — | |
| SCHEMBL8030504 | 0.93 | TTR (0.86) | — | |
| Dioxane SCHEMBL27498629 | 0.93 | — | — | |
| Oxirane SCHEMBL11492072 | 0.91 | — | — | |
| Oxirane SCHEMBL973217 | 0.91 | — | — | |
| Oxirane SCHEMBL3587 | 0.91 | — | — | |
| Oxirane SCHEMBL886925 | 0.91 | — | — | |
| Oxirane SCHEMBL8094696 | 0.91 | TTR (0.83) | — | |
| Oxirane SCHEMBL654963 | 0.91 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-0970964-B1 | Method for producing a titanium complex | SUMITOMO CHEMICAL CO (JP) | 2004-04-21 | — | — | EP | disclosed |
| EP-0970964-A2 | Method for producing titanium complex | SUMITOMO CHEMICAL COMPANY, LIMITED (JP) | 2000-01-12 | — | — | EP | disclosed |