⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL29664191 | 0.78 | MEN1 (0.32) | — | |
| SCHEMBL1960670 | 0.78 | MEN1 (0.32) | — | |
| SCHEMBL29664145 | 0.75 | CYP2C19 (0.42) | — | |
| SCHEMBL1962107 | 0.75 | CYP2C19 (0.42) | — | |
| SCHEMBL2014165 | 0.75 | AKR1C3 (0.33) | — | |
| SCHEMBL1962777 | 0.66 | MAPT (0.42) | — | |
| SCHEMBL6113940 | 0.65 | PTGS2 (0.31) | — | |
| SCHEMBL30658606 | 0.63 | TDP2 (0.31) | — | |
| SCHEMBL9933671 | 0.63 | TDP2 (0.31) | — | |
| SCHEMBL13002032 | 0.60 | PGR (0.37) | — |
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-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 |