⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL15917807 | 0.82 | — | — | |
| SCHEMBL273629 | 0.81 | — | — | |
| Iodide SCHEMBL5531813 | 0.79 | ALDH1A1 (0.36) | — | |
| SCHEMBL26111243 | 0.79 | ALDH1A1 (0.36) | — | |
| SCHEMBL24243580 | 0.77 | — | — | |
| SCHEMBL467175 | 0.77 | — | — | |
| SCHEMBL9210148 | 0.77 | — | — | |
| SCHEMBL21629869 | 0.74 | — | — | |
| SCHEMBL28124622 | 0.74 | — | — | |
| SCHEMBL28415439 | 0.74 | CYP26A1 (0.35) | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-103657718-B | For the preparation of resin catalyst and the method thereof of alkylene carbonate | SINOPEC CORP. (CN) | 2015-09-09 | — | — | CN | disclosed |