⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL630281 | 0.84 | — | — | |
| Chloromethane SCHEMBL5608846 | 0.77 | — | — | |
| Hydrochloric Acid SCHEMBL27512446 | 0.72 | GABRA1 (0.32) | — | |
| SCHEMBL27425956 | 0.72 | GABRA1 (0.32) | — | |
| Hydrochloric Acid SCHEMBL5608615 | 0.72 | — | — | |
| SCHEMBL1241317 | 0.71 | — | — | |
| SCHEMBL7191204 | 0.69 | GABRA1 (0.30) | — | |
| SCHEMBL8857289 | 0.67 | MAPT (0.31) | — | |
| SCHEMBL1240103 | 0.65 | — | — | |
| Hydrochloric Acid SCHEMBL16393763 | 0.65 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-0893455-B1 | OLEFIN POLYMERIZATION CATALYST, OLEFIN POLYMERIZATION METHOD, OLEFIN POLYMER COMPOSITIONS, AND THERMOFORMED ARTICLES | MITSUI CHEMICALS INC (JP) | 2004-10-06 | — | — | EP | disclosed |