⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL21503737 | 0.97 | — | — | |
| SCHEMBL22058698 | 0.93 | CHEK1 (0.30) | — | |
| SCHEMBL15947103 | 0.93 | AKT1 (0.32) | — | |
| SCHEMBL26230389 | 0.90 | — | — | |
| SCHEMBL15947106 | 0.89 | — | — | |
| SCHEMBL15947090 | 0.89 | STK10 (0.31) | — | |
| SCHEMBL15947105 | 0.88 | — | — | |
| SCHEMBL15947074 | 0.87 | AKT1 (0.30) | — | |
| SCHEMBL21503756 | 0.87 | — | — | |
| SCHEMBL24604981 | 0.87 | — | — |
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-20210032532-A1 | PHOTOCHROMIC COMPOUND, CURABLE COMPOSITION CONTAINING SAID PHOTOCHROMIC COMPOUND, AND OPTICAL ARTICLE | TOKUYAMA CORPORATION (JP) | 2021-02-04 | — | — | US | disclosed |