⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL27860110 | 1.00 | — | — | |
| SCHEMBL29785641 | 0.85 | MAOA (0.77) | — | |
| SCHEMBL2470956 | 0.85 | MAOA (0.77) | — | |
| SCHEMBL275526 | 0.85 | MAOA (0.77) | — | |
| SCHEMBL2557888 | 0.82 | MAOA (0.74) | — | |
| Benzene SCHEMBL10803509 | 0.82 | MAOA (0.82) | — | |
| SCHEMBL967362 | 0.80 | — | — | |
| SCHEMBL9403920 | 0.76 | — | — | |
| SCHEMBL28552825 | 0.76 | — | — | |
| SCHEMBL28554752 | 0.76 | — | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3362518-B1 | SENSOR DYES FOR REAL-TIME SENSING OF METAL IONS IN AQUEOUS ENVIRONMENTS | THE UWM RES FOUNDATION INC (US) | 2022-04-27 | — | — | EP | disclosed |
| WO-2017066672-A1 | SENSOR DYES FOR REAL-TIME SENSING OF METAL IONS IN AQUEOUS ENVIRONMENTS | UWM RESEARCH FOUNDATION, INC. (US) | 2017-04-20 | — | — | WO | disclosed |
| WO-2009000753-A1 | AZO DERIVATIVES CONTAINING A PYRAZOLINONE UNIT FOR DYEING KERATIN FIBRES | L'OREAL (FR) | 2008-12-31 | — | — | WO | disclosed |