⚠ 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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL3192140 | 0.76 | — | — | |
| Hydrochloric Acid SCHEMBL5608185 | 0.76 | — | — | |
| SCHEMBL5703399 | 0.75 | — | — | |
| SCHEMBL28408263 | 0.75 | — | — | |
| SCHEMBL2529117 | 0.75 | — | — | |
| SCHEMBL7613566 | 0.74 | — | — | |
| Chloromethane SCHEMBL5608846 | 0.74 | — | — | |
| Hydrochloric Acid SCHEMBL2529113 | 0.73 | — | — | |
| SCHEMBL2047652 | 0.73 | — | — | |
| SCHEMBL618117 | 0.71 | — | — |
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-0801047-B1 | NORBORNENE COMPOUNDS HAVING CHAIN POLYENE GROUPS AND UNSATURATED ETHYLENIC COPOLYMER PRODUCED WITH THE USE OF THE SAME | MITSUI CHEMICALS INC (JP) | 2000-04-05 | — | — | EP | disclosed |