⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL30708925 | 1.00 | — | — | |
| SCHEMBL1962634 | 1.00 | — | — | |
| SCHEMBL1962632 | 1.00 | — | — | |
| SCHEMBL1962352 | 0.96 | — | — | |
| SCHEMBL9973026 | 0.96 | — | — | |
| SCHEMBL1962356 | 0.96 | — | — | |
| SCHEMBL12553466 | 0.96 | — | — | |
| SCHEMBL9973066 | 0.94 | — | — | |
| SCHEMBL3704712 | 0.94 | — | — | |
| SCHEMBL3704710 | 0.94 | — | — |
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-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 |
| 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 |