⚠ 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 | |
|---|---|---|---|---|
| Ethylene Glycol SCHEMBL1414953 | 0.93 | — | — | |
| Ethylene Glycol SCHEMBL6684459 | 0.91 | TSHR (1.00) | — | |
| Ethylene Glycol SCHEMBL1332716 | 0.91 | — | — | |
| Ethylene Glycol SCHEMBL11297158 | 0.91 | TSHR (1.00) | — | |
| Ethylene Glycol SCHEMBL8013339 | 0.91 | TSHR (1.00) | — | |
| Ethylene Glycol SCHEMBL49878 | 0.91 | — | — | |
| Ethylene Glycol SCHEMBL2635018 | 0.91 | TSHR (1.00) | — | |
| Ethylene Glycol SCHEMBL3 | 0.91 | — | — | |
| Ethylene Glycol SCHEMBL15703238 | 0.87 | — | — | |
| Ethylene Glycol SCHEMBL23933211 | 0.83 | TSHR (0.83) | — |
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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2672974-A1 | HYBRID OPIOID COMPOUNDS AND COMPOSITIONS | Qrxpharma Limited (AU) | 2013-12-18 | — | — | EP | claimed |
| WO-2012109445-A1 | HYBRID OPIOID COMPOUNDS AND COMPOSITIONS | QRxPharma Ltd. (AU) | 2012-08-16 | — | — | WO | claimed |
| CN-109673157-A | Composition for polishing and composition for polishing set group | 福吉米株式会社 | 2019-04-23 | — | — | CN | disclosed |
| CN-107922867-B | Machining lubrication assistant material and cutting working method | 三菱瓦斯化学株式会社 | 2019-04-02 | — | — | CN | disclosed |
| CN-107922867-A | Machining lubrication assistant material and cutting working method | 三菱瓦斯化学株式会社 | 2018-04-17 | — | — | CN | disclosed |
| EP-3268359-A1 | HETEROCYCLE-SUBSTITUTED BICYCLIC AZOLE PESTICIDES | E. I. du Pont de Nemours and Company (US) | 2018-01-17 | — | — | EP | disclosed |
| WO-2016144678-A1 | HETEROCYCLE-SUBSTITUTED BICYCLIC AZOLE PESTICIDES | E I DU PONT DE NEMOURS AND COMPANY (US) | 2016-09-15 | — | — | WO | disclosed |
| US-5541284-A | TREATING WITH WATER VAPOR | DEQUSSA AKTIENGESELLSCHAFT (DE) | 1996-07-30 | — | — | US | disclosed |