⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL25876644 | 0.96 | — | — | |
| SCHEMBL25836572 | 0.90 | — | — | |
| SCHEMBL25876839 | 0.88 | PDK2 (0.33) | — | |
| SCHEMBL25875762 | 0.88 | PDK2 (0.31) | — | |
| SCHEMBL22058709 | 0.86 | AKT1 (0.32) | — | |
| SCHEMBL25837540 | 0.83 | — | — | |
| SCHEMBL25599864 | 0.83 | RAB9A (0.34) | — | |
| SCHEMBL25717086 | 0.83 | RAB9A (0.32) | — | |
| SCHEMBL25875772 | 0.82 | PRKDC (0.32) | — | |
| SCHEMBL25600127 | 0.81 | RAB9A (0.33) | — |
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-2023140186-A1 | PHOTOCHROMIC COMPOUND, NAPHTHOL DERIVATIVE, CURABLE COMPOSITION, OPTICAL ARTICLE, LENS, AND EYEGLASSES | 株式会社トクヤマ | 2023-07-27 | — | — | WO | disclosed |