⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL25954079 | 0.83 | — | — | |
| SCHEMBL15490885 | 0.83 | — | — | |
| SCHEMBL25836568 | 0.82 | SCN9A (0.33) | — | |
| SCHEMBL25875764 | 0.82 | — | — | |
| SCHEMBL25837330 | 0.82 | — | — | |
| SCHEMBL26627899 | 0.82 | — | — | |
| SCHEMBL25954075 | 0.82 | — | — | |
| SCHEMBL25836584 | 0.81 | — | — | |
| SCHEMBL25954069 | 0.80 | — | — | |
| SCHEMBL16435752 | 0.79 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2023136213-A1 | PHOTOCHROMIC COMPOUND, NAPHTHOL DERIVATIVE, CURABLE COMPOSITION, OPTICAL ARTICLE, LENS, AND EYEGLASSES | 株式会社トクヤマ | 2023-07-20 | — | — | WO | disclosed |