⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL29181108 | 0.91 | — | — | |
| SCHEMBL28106019 | 0.91 | — | — | |
| SCHEMBL10684682 | 0.91 | — | — | |
| SCHEMBL3470775 | 0.89 | — | — | |
| SCHEMBL10425302 | 0.89 | — | — | |
| SCHEMBL27671790 | 0.89 | — | — | |
| SCHEMBL10581444 | 0.89 | — | — | |
| SCHEMBL29216843 | 0.84 | — | — | |
| SCHEMBL29181119 | 0.84 | — | — | |
| SCHEMBL10660202 | 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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4490349-A | DUAL WALLED CHAMBER- ONE WALL REACTS EXOTHERMALLY WITH STEAM TO PRODUCE HYDROGEN, OTHER DIFFUSION MEMBRANE | BEESTON COMPANY LIMITED (HK) | 1984-12-25 | — | — | US | disclosed |