⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1445537 | 0.78 | — | — | |
| SCHEMBL7931708 | 0.73 | — | — | |
| SCHEMBL28457975 | 0.70 | ESR2 (0.36) | — | |
| SCHEMBL11921186 | 0.69 | — | — | |
| SCHEMBL29167888 | 0.67 | MEN1 (0.33) | — | |
| SCHEMBL9403747 | 0.67 | — | — | |
| SCHEMBL10157085 | 0.67 | — | — | |
| SCHEMBL813728 | 0.65 | — | — | |
| SCHEMBL24840977 | 0.65 | — | — | |
| SCHEMBL669476 | 0.65 | — | — |
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-117683060-A | Metallocene compound ligand, preparation method and application | 中国石油天然气股份有限公司 | 2024-03-12 | — | — | CN | disclosed |