⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1408033 | 1.00 | — | — | |
| SCHEMBL317737 | 1.00 | — | — | |
| SCHEMBL15466551 | 0.93 | — | — | |
| SCHEMBL15466553 | 0.93 | — | — | |
| SCHEMBL11315965 | 0.91 | ALDH1A1 (0.34) | — | |
| SCHEMBL11315963 | 0.91 | ALDH1A1 (0.34) | — | |
| SCHEMBL6243946 | 0.87 | — | — | |
| SCHEMBL5701057 | 0.87 | — | — | |
| SCHEMBL12120015 | 0.75 | — | — | |
| SCHEMBL12425174 | 0.75 | — | — |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0083292-B1 | METHOD FOR THE PRODUCTION OF ETHYLBENZENE | THE GOODYEAR TIRE & RUBBER COMPANY (US) | 1985-05-29 | — | — | EP | claimed |
| EP-0083292-A1 | Method for the production of ethylbenzene | THE GOODYEAR TIRE & RUBBER COMPANY (US) | 1983-07-06 | — | — | EP | claimed |
| US-4367358-A | DEHYDROGENATION CYCLOOLEFINS | THE GOODYEAR TIRE & RUBBER COMPANY (US) | 1983-01-04 | — | — | US | claimed |
| US-4048243-A | Method for the production of ethylbenzene | CHEMISCHE WERKE HULS AKTIENGESELLSCHAFT (DT) | 1977-09-13 | — | — | US | claimed |
| EP-0083292-B1 | METHOD FOR THE PRODUCTION OF ETHYLBENZENE | THE GOODYEAR TIRE & RUBBER COMPANY (US) | 1985-05-29 | — | — | EP | disclosed |
| EP-0083292-A1 | Method for the production of ethylbenzene | THE GOODYEAR TIRE & RUBBER COMPANY (US) | 1983-07-06 | — | — | EP | disclosed |
| US-4048243-A | Method for the production of ethylbenzene | CHEMISCHE WERKE HULS AKTIENGESELLSCHAFT (DT) | 1977-09-13 | — | — | US | disclosed |