⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL24628 | 0.97 | — | — | |
| SCHEMBL693032 | 0.97 | ALDH1A1 (0.68) | — | |
| SCHEMBL6625847 | 0.97 | — | — | |
| SCHEMBL31362107 | 0.94 | — | — | |
| Water SCHEMBL10740860 | 0.94 | ALDH1A1 (0.65) | — | |
| SCHEMBL3973622 | 0.94 | — | — | |
| Methane SCHEMBL29266079 | 0.94 | — | — | |
| SCHEMBL5382365 | 0.86 | ALDH1A1 (0.71) | — | |
| Bicarbonate SCHEMBL11569297 | 0.86 | ALDH1A1 (0.56) | — | |
| SCHEMBL11192502 | 0.82 | — | — |
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-12006421-B2 | Cellulose-based composites and methods of making the same | ALLIANCE FOR SUSTAINABLE ENERGY, LLC (US) | 2024-06-11 | — | — | US | disclosed |