⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL215435 | 0.84 | — | — | |
| SCHEMBL9514653 | 0.84 | — | — | |
| SCHEMBL9511818 | 0.71 | — | — | |
| Water SCHEMBL27751682 | 0.71 | — | — | |
| SCHEMBL28418200 | 0.71 | — | — | |
| SCHEMBL9514638 | 0.71 | — | — | |
| SCHEMBL29280585 | 0.71 | — | — | |
| SCHEMBL24478 | 0.66 | — | — | |
| SCHEMBL1128221 | 0.66 | — | — | |
| SCHEMBL15338 | 0.66 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-0430714-B1 | Process for producing 2,6-dimethylnaphthalene | MITSUBISHI GAS CHEMICAL CO (JP) | 1993-11-10 | — | — | EP | disclosed |
| EP-0430714-A2 | Process for producing 2,6-dimethylnaphthalene | MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) | 1991-06-05 | — | — | EP | disclosed |