⚠ 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 | |
|---|---|---|---|---|
| Butane SCHEMBL3385730 | 0.88 | — | — | |
| Butane SCHEMBL3383167 | 0.76 | — | — | |
| Butane SCHEMBL3384048 | 0.74 | — | — | |
| Butane SCHEMBL3385820 | 0.65 | — | — | |
| Butane SCHEMBL3385438 | 0.64 | ADORA3 (0.30) | — | |
| SCHEMBL23312214 | 0.61 | MAPT (0.37) | — | |
| SCHEMBL27411805 | 0.61 | — | — | |
| SCHEMBL337597 | 0.61 | — | — | |
| SCHEMBL284854 | 0.61 | — | — | |
| Octane SCHEMBL28018307 | 0.61 | TSHR (0.38) | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7709586-B2 | Olefin polymerization catalyst and olefin polymerization process using the same | DAELIM INDUSTRIAL CO., LTD. (KR) | 2010-05-04 | — | — | US | disclosed |
| US-20070142221-A1 | Olefin polymerization catalyst and olefin polymerization process using the same | DAELIM INDUSTRIAL CO., LTD. | 2007-06-21 | — | — | US | disclosed |