⚠ 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 | |
|---|---|---|---|---|
| Butadiene SCHEMBL28138028 | 0.93 | ALDH1A1 (0.67) | — | |
| SCHEMBL14855 | 0.88 | — | — | |
| SCHEMBL20661241 | 0.88 | ALDH1A1 (1.00) | — | |
| SCHEMBL322832 | 0.88 | ALDH1A1 (1.00) | — | |
| SCHEMBL1331930 | 0.88 | — | — | |
| SCHEMBL28193031 | 0.86 | ALDH1A1 (0.67) | — | |
| Bromide SCHEMBL8198603 | 0.84 | ALDH1A1 (0.91) | — | |
| SCHEMBL4421781 | 0.84 | ALDH1A1 (0.91) | — | |
| Charcoal, Activated SCHEMBL318468 | 0.84 | — | — | |
| SCHEMBL11504181 | 0.84 | — | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20190329491-A1 | COMPOSITIONS INCLUDING POLYMER AND HOLLOW CERAMIC MICROSPHERES AND METHOD OF MAKING A THREE-DIMENSIONAL ARTICLE | 3M INNOVATIVE PROPERTIES COMPANY | 2019-10-31 | — | — | US | disclosed |
| EP-3541629-A1 | COMPOSITIONS INCLUDING POLYMER AND HOLLOW CERAMIC MICROSPHERES AND METHOD OF MAKING A THREE-DIMENSIONAL ARTICLE | 3M Innovative Properties Company (US) | 2019-09-25 | — | — | EP | disclosed |
| WO-2018094185-A1 | COMPOSITIONS INCLUDING POLYMER AND HOLLOW CERAMIC MICROSPHERES AND METHOD OF MAKING A THREE-DIMENSIONAL ARTICLE | 3M INNOVATIVE PROPERTIES COMPANY (US) | 2018-05-24 | — | — | WO | disclosed |