⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL235362 | 0.74 | — | — | |
| SCHEMBL7835388 | 0.70 | — | — | |
| SCHEMBL18050202 | 0.70 | — | — | |
| SCHEMBL24046284 | 0.67 | — | — | |
| SCHEMBL39492 | 0.65 | — | — | |
| Tert-Butanol SCHEMBL788666 | 0.65 | ALDH1A1 (0.46) | — | |
| Tert-Butanol SCHEMBL3628777 | 0.65 | — | — | |
| Tert-Butanol SCHEMBL282 | 0.65 | — | — | |
| Tert-Butanol SCHEMBL20503401 | 0.65 | ALDH1A1 (0.46) | — | |
| SCHEMBL9930328 | 0.65 | — | — |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-9718927-B2 | Cross-linked silicone polymer and process for producing the same | MILLIKEN & COMPANY (US) | 2017-08-01 | — | — | US | disclosed |
| EP-2113548-B1 | ORGANIC ELECTROLUMINESCENCE DEVICE | UDC IRELAND LTD (IE) | 2016-05-25 | — | — | EP | disclosed |
| EP-2211402-B1 | Electrolyte and secondary battery | SONY CORP (JP) | 2013-07-03 | — | — | EP | disclosed |
| EP-2113548-A1 | Organic electroluminescence device | FUJIFILM Corporation (JP) | 2009-11-04 | — | — | EP | disclosed |
| EP-2112213-A2 | Organic electroluminescence device, novel platinum complex compound and novel compound capable of being a ligand thereof | FUJIFILM Corporation (JP) | 2009-10-28 | — | — | EP | disclosed |