⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL28040399 | 0.85 | — | — | |
| SCHEMBL28040388 | 0.83 | HDAC4 (0.33) | — | |
| SCHEMBL28040816 | 0.82 | — | — | |
| SCHEMBL28040806 | 0.78 | GABRA1 (0.31) | — | |
| SCHEMBL28040440 | 0.78 | — | — | |
| SCHEMBL28040460 | 0.78 | — | — | |
| SCHEMBL27886336 | 0.76 | — | — | |
| SCHEMBL28040490 | 0.76 | — | — | |
| SCHEMBL28040788 | 0.73 | — | — | |
| Methylamine SCHEMBL28040371 | 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 |