⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL529414 | 0.69 | — | — | |
| SCHEMBL2228577 | 0.67 | — | — | |
| SCHEMBL14111097 | 0.67 | ADH1B (0.50) | — | |
| SCHEMBL4968115 | 0.67 | ADH1B (0.50) | — | |
| SCHEMBL4968122 | 0.67 | ADH1B (0.50) | — | |
| SCHEMBL4138158 | 0.65 | — | — | |
| SCHEMBL4969064 | 0.64 | ADH1B (0.47) | — | |
| SCHEMBL4969067 | 0.64 | ADH1B (0.47) | — | |
| SCHEMBL271321 | 0.61 | — | — | |
| SCHEMBL1713306 | 0.61 | — | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2017186870-A1 | PARTICULATE COATING | JOTUN A/S (NO) | 2017-11-02 | — | — | WO | claimed |
| US-9969872-B2 | Filled butyl rubber ionomer compounds | LANXESS INC. (CA) | 2018-05-15 | — | — | US | disclosed |
| US-20160215131-A1 | FILLED BUTYL RUBBER IONOMER COMPOUNDS | ARLANXEO Canada Inc. (CA) | 2016-07-28 | — | — | US | disclosed |
| EP-2431430-A1 | Micronized wood preservative formulations in organic carriers | Osmose, Inc. (US) | 2012-03-21 | — | — | EP | disclosed |