⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL10525781 | 1.00 | — | — | |
| SCHEMBL10525776 | 1.00 | — | — | |
| SCHEMBL8930505 | 0.79 | — | — | |
| SCHEMBL2484336 | 0.72 | — | — | |
| SCHEMBL3021247 | 0.72 | — | — | |
| SCHEMBL23907305 | 0.70 | ALDH1A1 (0.48) | — | |
| SCHEMBL10527355 | 0.70 | MAPT (0.39) | — | |
| SCHEMBL2173551 | 0.70 | ALDH1A1 (0.48) | — | |
| SCHEMBL2671623 | 0.70 | MAPT (0.39) | — | |
| SCHEMBL2671624 | 0.70 | MAPT (0.39) | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3196271-A1 | GAS-GENERATING AGENT, AND PROCESS FOR PRODUCING FOAMED OBJECT USING SAME | Mitsubishi Gas Chemical Company, Inc. (JP) | 2017-07-26 | — | — | EP | disclosed |
| WO-2012020738-A1 | HETEROCYCLIC COMPOUND AND USE THEREOF | 武田薬品工業株式会社 (JP) | 2012-02-16 | — | — | WO | disclosed |