⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL631462 | 0.81 | HSD17B10 (0.37) | — | |
| SCHEMBL3859770 | 0.79 | — | — | |
| SCHEMBL164045 | 0.78 | THRB (0.31) | — | |
| SCHEMBL347964 | 0.78 | MEN1 (0.35) | — | |
| SCHEMBL29488236 | 0.78 | MEN1 (0.35) | — | |
| SCHEMBL23736017 | 0.72 | MEN1 (0.32) | — | |
| SCHEMBL2501100 | 0.72 | THRB (0.31) | — | |
| SCHEMBL13498373 | 0.72 | — | — | |
| SCHEMBL30054587 | 0.72 | CES2 (0.37) | — | |
| SCHEMBL10885420 | 0.72 | THRB (0.50) | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1438368-B1 | PHOTOCHROMIC POLYMERIZABLE COMPOSITIONS | TRANSITIONS OPTICAL INC (US) | 2008-02-20 | — | — | EP | claimed |
| EP-1451256-B1 | ARTICLES HAVING A PHOTOCHROMIC POLYMERIC COATING | TRANSITIONS OPTICAL INC (US) | 2005-06-29 | — | — | EP | claimed |