⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6623934 | 0.77 | — | — | |
| SCHEMBL4616382 | 0.76 | — | — | |
| SCHEMBL28741507 | 0.76 | — | — | |
| SCHEMBL7102621 | 0.74 | — | — | |
| SCHEMBL4616388 | 0.74 | — | — | |
| SCHEMBL7101262 | 0.73 | — | — | |
| SCHEMBL8930827 | 0.70 | — | — | |
| SCHEMBL5787196 | 0.69 | — | — | |
| SCHEMBL22129738 | 0.69 | — | — | |
| SCHEMBL28140098 | 0.69 | — | — |
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-2651914-A1 | PHOTOCHROMIC COMPOUNDS AND COMPOSITIONS | Transitions Optical, Inc. (US) | 2013-10-23 | — | — | EP | disclosed |
| WO-2012082999-A1 | PHOTOCHROMIC COMPOUNDS AND COMPOSITIONS | TRANSITIONS OPTICAL, INC. (US) | 2012-06-21 | — | — | WO | disclosed |