⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL25837200 | 0.99 | — | — | |
| SCHEMBL25837966 | 0.97 | — | — | |
| SCHEMBL25838015 | 0.97 | KDM4E (0.31) | — | |
| SCHEMBL25838329 | 0.94 | — | — | |
| SCHEMBL25838366 | 0.94 | — | — | |
| SCHEMBL25837808 | 0.94 | — | — | |
| SCHEMBL25837759 | 0.94 | — | — | |
| SCHEMBL25837778 | 0.93 | — | — | |
| SCHEMBL25838281 | 0.93 | — | — | |
| SCHEMBL25838023 | 0.92 | KDM4E (0.32) | — |
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 |