⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1262673 | 0.97 | — | — | |
| SCHEMBL14087223 | 0.97 | — | — | |
| SCHEMBL7108599 | 0.97 | — | — | |
| Chloromethane SCHEMBL4688989 | 0.93 | CYP3A4 (0.39) | — | |
| Methyl Alcohol SCHEMBL3833898 | 0.93 | CYP3A4 (0.43) | — | |
| SCHEMBL55792 | 0.90 | — | — | |
| SCHEMBL15471499 | 0.90 | — | — | |
| SCHEMBL25595149 | 0.81 | CYP3A4 (0.35) | — | |
| SCHEMBL11177573 | 0.78 | CYP3A4 (0.55) | — | |
| SCHEMBL15484174 | 0.75 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-114516954-B | Polyether polyol and polyurethane foam | 红宝丽集团股份有限公司 | 2024-08-20 | — | — | CN | disclosed |
| CN-114516954-A | Polyether polyol and polyurethane foam | 红宝丽集团股份有限公司 | 2022-05-20 | — | — | CN | disclosed |
| EP-3205767-A1 | SIZING AGENT FOR SYNTHETIC FIBERS, REINFORCING FIBER BUNDLE, AND FIBER-REINFORCED COMPOSITE | Nicca Chemical Co., Ltd. (JP) | 2017-08-16 | — | — | EP | disclosed |