⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL21437104 | 0.90 | — | — | |
| Hydrogen Peroxide SCHEMBL28526372 | 0.84 | — | — | |
| Hydrogen Peroxide SCHEMBL8376264 | 0.84 | ALDH1A1 (0.42) | — | |
| SCHEMBL27519369 | 0.78 | — | — | |
| SCHEMBL27524417 | 0.78 | ALDH1A1 (0.46) | — | |
| SCHEMBL437564 | 0.78 | — | — | |
| SCHEMBL10871026 | 0.78 | ALDH1A1 (0.46) | — | |
| SCHEMBL6799285 | 0.78 | ALDH1A1 (0.46) | — | |
| SCHEMBL434958 | 0.78 | — | — | |
| SCHEMBL2815 | 0.78 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-20040030093-A1 | Metal catalyst for ring-opening polymerization of heterocyclic compound | SANYO CHEMICAL INDUSTRIES, LTD. (JP) | 2004-02-12 | — | — | US | disclosed |
| EP-1340780-A1 | METAL CATALYST FOR RING-OPENING POLYMERIZATION OF HETEROCYCLIC COMPOUND | SANYO CHEMICAL INDUSTRIES, LTD. (JP) | 2003-09-03 | — | — | EP | disclosed |