⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL14736664 | 0.76 | — | — | |
| SCHEMBL7054953 | 0.71 | — | — | |
| SCHEMBL449924 | 0.71 | — | — | |
| SCHEMBL983402 | 0.69 | — | — | |
| SCHEMBL2212022 | 0.69 | — | — | |
| SCHEMBL9236608 | 0.69 | — | — | |
| SCHEMBL6890324 | 0.69 | — | — | |
| SCHEMBL8373207 | 0.68 | — | — | |
| SCHEMBL2212534 | 0.68 | — | — | |
| SCHEMBL2210924 | 0.68 | — | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2494408-B9 | PHOTOCHROMIC MATERIALS | TRANSITIONS OPTICAL INC (US) | 2015-09-02 | — | — | EP | disclosed |
| EP-2494408-B1 | PHOTOCHROMIC MATERIALS | TRANSITIONS OPTICAL INC (US) | 2015-04-15 | — | — | EP | disclosed |
| US-8518305-B2 | Photochromic materials | TRANSITIONS OPTICAL, INC. (US) | 2013-08-27 | — | — | US | disclosed |
| US-20110108781-A1 | PHOTOCHROMIC MATERIALS | TRANSITIONS OPTICAL, INC. (US) | 2011-05-12 | — | — | US | disclosed |