⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6650773 | 0.94 | ACHE (0.33) | — | |
| SCHEMBL6650683 | 0.82 | CHEK1 (0.38) | — | |
| SCHEMBL28041355 | 0.81 | RXRA (0.33) | — | |
| SCHEMBL27462619 | 0.80 | CYP2A6 (0.36) | — | |
| SCHEMBL28041346 | 0.77 | KIF11 (0.39) | — | |
| SCHEMBL28041349 | 0.76 | MEN1 (0.33) | — | |
| SCHEMBL1643834 | 0.73 | RXRA (0.30) | — | |
| SCHEMBL6648791 | 0.73 | RAPGEF4 (0.30) | — | |
| SCHEMBL730698 | 0.73 | RXRA (0.36) | — | |
| SCHEMBL28041138 | 0.73 | — | — |
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-105026408-A | Metallocene compound, catalyst for olefin polymer, method for producing olefin polymer, and olefin polymer | JAPAN POLYETHYLENE CORP | 2015-11-04 | — | — | CN | disclosed |