⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8068597 | 1.00 | — | — | |
| SCHEMBL10422670 | 0.78 | — | — | |
| SCHEMBL15618504 | 0.78 | — | — | |
| SCHEMBL29044547 | 0.78 | — | — | |
| SCHEMBL10422669 | 0.78 | — | — | |
| SCHEMBL8998646 | 0.76 | — | — | |
| SCHEMBL2006604 | 0.76 | — | — | |
| SCHEMBL28370627 | 0.76 | ALDH1A1 (0.33) | — | |
| SCHEMBL8998636 | 0.76 | — | — | |
| SCHEMBL7599333 | 0.76 | ALDH1A1 (0.39) | — |
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 9 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-3975446-A | FROM UNSATURATED ALCOHOL, TERTIARY AMINE | SHINETSU CHEMICAL COMPANY (JA) | 1976-08-17 | — | — | US | claimed |
| US-9371301-B2 | Prenylarene compound and use thereof | OSAKA UNIVERSITY (JP) | 2016-06-21 | — | — | US | disclosed |
| US-20130065937-A1 | NOVEL PRENYLARENE COMPOUND AND USE THEREOF | OSAKA UNIVERSITY (JP) | 2013-03-14 | — | — | US | disclosed |
| EP-2567956-A1 | NOVEL PRENYLARENE COMPOUND AND USE THEREOF | Osaka University (JP) | 2013-03-13 | — | — | EP | disclosed |
| EP-0777645-B1 | OXIME ETHERS AND THEIR USE AS PESTICIDES | NOVARTIS AG (CH) | 2000-06-14 | — | — | EP | disclosed |
| EP-0777645-A1 | OXIME ETHERS AND THEIR USE AS PESTICIDES | Novartis AG (CH) | 1997-06-11 | — | — | EP | disclosed |
| US-5583249-A | INSECTICIDES, MITICIDES, MICROBIOCIDES FOR PLANTS | CIBA-GEIGY CORPORATION (US) | 1996-12-10 | — | — | US | disclosed |
| WO-1996006072-A1 | OXIME ETHERS AND THEIR USE AS PESTICIDES | CIBA-GEIGY AG (CH) | 1996-02-29 | — | — | WO | disclosed |
| US-3975446-A | FROM UNSATURATED ALCOHOL, TERTIARY AMINE | SHINETSU CHEMICAL COMPANY (JA) | 1976-08-17 | — | — | US | disclosed |