⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1333630 | 1.00 | — | — | |
| SCHEMBL1331968 | 0.96 | — | — | |
| SCHEMBL1331818 | 0.94 | TP53 (0.33) | — | |
| SCHEMBL9967380 | 0.94 | TP53 (0.33) | — | |
| SCHEMBL12573801 | 0.94 | MAPK14 (0.31) | — | |
| SCHEMBL16048115 | 0.91 | — | — | |
| SCHEMBL1959761 | 0.83 | ABCC1 (0.34) | — | |
| SCHEMBL2013699 | 0.83 | ABCC1 (0.34) | — | |
| SCHEMBL12553497 | 0.81 | MAPK14 (0.33) | — | |
| SCHEMBL1333734 | 0.81 | P2RY14 (0.34) | — |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2652552-B9 | PHOTOCHROMIC COMPOUNDS AND COMPOSITIONS | TRANSITIONS OPTICAL INC (US) | 2016-02-17 | — | — | EP | disclosed |
| EP-2652552-B1 | PHOTOCHROMIC COMPOUNDS AND COMPOSITIONS | TRANSITIONS OPTICAL INC (US) | 2015-09-02 | — | — | EP | disclosed |
| US-8545984-B2 | Photochromic compounds and compositions | TRANSITIONS OPTICAL, INC. (US) | 2013-10-01 | — | — | US | disclosed |
| WO-2012082299-A1 | PHOTOCHROMIC COMPOUNDS AND COMPOSITIONS | TRANSITIONS OPTICAL, INC. (US) | 2012-06-21 | — | — | WO | disclosed |
| US-20110129678-A1 | Photochromic compounds and compositions | TRANSITIONS OPTICAL, INC. (US) | 2011-06-02 | — | — | US | disclosed |