⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL28041134 | 0.87 | — | — | |
| SCHEMBL27978443 | 0.79 | CHRNB2 (0.33) | — | |
| SCHEMBL18124398 | 0.78 | RXRA (0.33) | — | |
| SCHEMBL28041360 | 0.77 | EDNRB (0.32) | — | |
| SCHEMBL28041350 | 0.74 | BRD4 (0.36) | — | |
| SCHEMBL28041345 | 0.74 | KIF11 (0.38) | — | |
| SCHEMBL17415534 | 0.74 | — | — | |
| SCHEMBL17386735 | 0.74 | — | — | |
| SCHEMBL28041170 | 0.73 | HRH3 (0.36) | — | |
| SCHEMBL28041264 | 0.73 | BRD4 (0.34) | — |
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 |