⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9334270 | 1.00 | — | — | |
| SCHEMBL9484934 | 0.79 | — | — | |
| SCHEMBL9484929 | 0.79 | — | — | |
| SCHEMBL22238913 | 0.64 | — | — | |
| SCHEMBL2934624 | 0.54 | — | — | |
| SCHEMBL13081290 | 0.50 | — | — | |
| SCHEMBL6349270 | 0.50 | — | — | |
| SCHEMBL14470375 | 0.50 | — | — | |
| SCHEMBL18010959 | 0.49 | — | — | |
| SCHEMBL28950623 | 0.49 | — | — |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0379300-B1 | Separation of 1,2-dihydroxycyclohexa-3,5-diene compounds | ZENECA LTD (GB) | 1994-04-27 | — | — | EP | claimed |
| US-5105003-A | Complexing with phenylboric acid, adjusting ph to precipitate ester, breaking ester | IMPERIAL CHEMICAL INDUSTRIES PLC (GB) | 1992-04-14 | — | — | US | claimed |
| EP-0379300-A2 | Separation of 1,2-dihydroxycyclohexa-3,5-diene compounds | ZENECA LIMITED (GB) | 1990-07-25 | — | — | EP | claimed |
| EP-0379300-B1 | Separation of 1,2-dihydroxycyclohexa-3,5-diene compounds | ZENECA LTD (GB) | 1994-04-27 | — | — | EP | disclosed |
| US-5105003-A | Complexing with phenylboric acid, adjusting ph to precipitate ester, breaking ester | IMPERIAL CHEMICAL INDUSTRIES PLC (GB) | 1992-04-14 | — | — | US | disclosed |
| EP-0379300-A2 | Separation of 1,2-dihydroxycyclohexa-3,5-diene compounds | ZENECA LIMITED (GB) | 1990-07-25 | — | — | EP | disclosed |