⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5971743 | 0.98 | — | — | |
| SCHEMBL23930272 | 0.78 | — | — | |
| SCHEMBL7636236 | 0.75 | — | — | |
| SCHEMBL6788568 | 0.74 | — | — | |
| SCHEMBL7962196 | 0.72 | — | — | |
| SCHEMBL6672254 | 0.71 | — | — | |
| SCHEMBL29084640 | 0.71 | — | — | |
| SCHEMBL30510888 | 0.71 | — | — | |
| SCHEMBL560537 | 0.69 | — | — | |
| SCHEMBL31680337 | 0.69 | — | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-1684986-A | Cyclopentadienyl ring-containing silicon for metallocene catalyst components | TOTAL PETROCHEMICALS RES FELUY (BE) | 2005-10-19 | — | — | CN | disclosed |