⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL28040414 | 0.80 | ESR1 (0.38) | — | |
| SCHEMBL28040628 | 0.80 | LMNA (0.31) | — | |
| SCHEMBL28040845 | 0.78 | LMNA (0.32) | — | |
| SCHEMBL27886362 | 0.77 | TP53 (0.36) | — | |
| SCHEMBL27870087 | 0.75 | TP53 (0.34) | — | |
| SCHEMBL27870099 | 0.73 | ESR1 (0.31) | — | |
| SCHEMBL12191013 | 0.72 | ESR1 (0.41) | — | |
| SCHEMBL27886292 | 0.70 | SETD7 (0.34) | — | |
| SCHEMBL28040770 | 0.69 | PTAFR (0.33) | — | |
| SCHEMBL27870058 | 0.68 | — | — |
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-102666561-B | Transition metal complex, the cyclopentadiene compound of catalyst for trimerization and replacement | SUMITOMO CHEMICAL CO.,LTD. (JP) | 2015-11-25 | — | — | CN | disclosed |