⚠ 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 | |
|---|---|---|---|---|
| Dimethoxymethane SCHEMBL8602889 | 0.86 | — | — | |
| Dimethoxymethane SCHEMBL27562420 | 0.86 | — | — | |
| Dimethoxymethane SCHEMBL8330941 | 0.85 | — | — | |
| Dimethoxymethane SCHEMBL474301 | 0.85 | — | — | |
| Dimethoxymethane SCHEMBL4642 | 0.85 | — | — | |
| Hexane SCHEMBL7565319 | 0.84 | TSHR (0.50) | — | |
| Dimethoxymethane SCHEMBL15091846 | 0.82 | — | — | |
| Heptane SCHEMBL16180639 | 0.81 | TSHR (0.57) | — | |
| Octane SCHEMBL27966378 | 0.81 | TSHR (0.57) | — | |
| Octane SCHEMBL27908920 | 0.81 | TSHR (0.57) | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0261961-B1 | CATALYST FOR OLEFIN POLYMERIZATION | MITSUBISHI PETROCHEMICAL CO., LTD. (JP) | 1993-08-25 | — | — | EP | disclosed |
| US-4814314-A | COORDINATION CATALYST | MITSUBISHI PETROCHEMICAL COMPANY LIMITED (JP) | 1989-03-21 | — | — | US | disclosed |
| EP-0261961-A2 | Catalyst for olefin polymerization | MITSUBISHI PETROCHEMICAL CO., LTD. (JP) | 1988-03-30 | — | — | EP | disclosed |