⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL29664156 | 0.91 | KDM4E (0.31) | — | |
| SCHEMBL9929360 | 0.91 | KDM4E (0.31) | — | |
| SCHEMBL21585210 | 0.88 | SLC6A9 (0.31) | — | |
| SCHEMBL1964070 | 0.86 | — | — | |
| SCHEMBL1962012 | 0.84 | — | — | |
| SCHEMBL23572585 | 0.83 | SLC6A9 (0.32) | — | |
| SCHEMBL30146794 | 0.83 | SLC6A9 (0.32) | — | |
| SCHEMBL1963554 | 0.83 | — | — | |
| SCHEMBL23572588 | 0.82 | — | — | |
| SCHEMBL30844854 | 0.82 | — | — |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3045971-A1 | PHOTOCHROMIC COMPOUNDS AND COMPOSITIONS | Transitions Optical, Inc. (US) | 2016-07-20 | — | — | EP | disclosed |
| EP-2652553-B1 | PHOTOCHROMIC COMPOUNDS AND COMPOSITIONS | TRANSITIONS OPTICAL INC (US) | 2016-04-06 | — | — | EP | disclosed |
| EP-2652553-A1 | PHOTOCHROMIC COMPOUNDS AND COMPOSITIONS | Transitions Optical, Inc. (US) | 2013-10-23 | — | — | EP | disclosed |
| US-8518546-B2 | Photochromic compounds and compositions | TRANSITIONS OPTICAL, INC. (US) | 2013-08-27 | — | — | US | disclosed |
| WO-2012082383-A1 | PHOTOCHROMIC COMPOUNDS AND COMPOSITIONS | TRANSITIONS OPTICAL, INC. (US) | 2012-06-21 | — | — | WO | disclosed |
| US-20110143141-A1 | Photochromic compounds and compositions | TRANSITIONS OPTICAL, INC. (US) | 2011-06-16 | — | — | US | disclosed |