⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL11240416 | 1.00 | — | — | |
| SCHEMBL6936921 | 0.78 | — | — | |
| SCHEMBL6721798 | 0.78 | — | — | |
| SCHEMBL10776158 | 0.76 | — | — | |
| Hydrochloric Acid SCHEMBL10640365 | 0.76 | LMNA (0.52) | — | |
| Hydrochloric Acid SCHEMBL10640359 | 0.76 | LMNA (0.52) | — | |
| SCHEMBL16188866 | 0.75 | LMNA (0.46) | — | |
| SCHEMBL27895877 | 0.75 | LMNA (0.52) | — | |
| SCHEMBL8629031 | 0.75 | — | — | |
| SCHEMBL5079179 | 0.74 | — | — |
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-0025692-B1 | QUINONE DERIVATIVES, THEIR PRODUCTION AND USE | Takeda Chemical Industries, Ltd. (JP) | 1982-12-01 | — | — | EP | disclosed |
| US-3728362-A | (3-METHYL-5-CARBOXY-2-PENTENYL)QUINONES | TAKEDA CHEMICAL INDUSTRIES LTD | 1973-04-17 | — | — | US | disclosed |