⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL20411941 | 1.00 | — | — | |
| SCHEMBL17540096 | 0.89 | — | — | |
| SCHEMBL13143480 | 0.87 | — | — | |
| SCHEMBL13561308 | 0.86 | ALDH1A1 (0.31) | — | |
| SCHEMBL20411958 | 0.86 | ALDH1A1 (0.31) | — | |
| SCHEMBL20411951 | 0.86 | ALDH1A1 (0.31) | — | |
| SCHEMBL20415472 | 0.82 | — | — | |
| SCHEMBL13297352 | 0.81 | — | — | |
| SCHEMBL24115802 | 0.80 | — | — | |
| SCHEMBL17540153 | 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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-11642665-B2 | Enantiomerically enriched, polycrystalline molecular sieves | CALIFORNIA INSTITUTE OF TECHNOLOGY (US) | 2023-05-09 | — | — | US | disclosed |
| US-20180207625-A1 | ENANTIOMERICALLY ENRICHED, POLYCRYSTALLINE MOLECULAR SIEVES | UNITED STATES DEPARTMENT OF ENERGY | 2018-07-26 | — | — | US | disclosed |