⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL12931861 | 0.71 | — | — | |
| SCHEMBL6834247 | 0.69 | — | — | |
| SCHEMBL5153792 | 0.69 | — | — | |
| SCHEMBL11993132 | 0.69 | — | — | |
| SCHEMBL5154065 | 0.69 | — | — | |
| SCHEMBL5154602 | 0.64 | — | — | |
| SCHEMBL5153940 | 0.64 | — | — | |
| SCHEMBL17757003 | 0.64 | GABRA1 (0.39) | — | |
| Phloroglucinol SCHEMBL30542958 | 0.55 | — | — | |
| Phloroglucinol SCHEMBL2889628 | 0.55 | BACE1 (1.00) | — |
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 9 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-103827126-B | Novel compound and carrier for supporting the same | 株式会社艾迪科 | 2017-05-17 | — | — | CN | claimed |
| US-7297168-B2 | Keratin dyeing compounds, keratin dyeing compositions containing them, and use thereof | THE PROCTER & GAMBLE COMPANY (US) | 2007-11-20 | — | — | US | claimed |
| US-20050198745-A1 | Keratin dyeing compounds, keratin dyeing compositions containing them, and use thereof | PROCTER & GAMBLE COMPANY, THE | 2005-09-15 | — | — | US | claimed |
| CN-103827126-B | Novel compound and carrier for supporting the same | 株式会社艾迪科 | 2017-05-17 | — | — | CN | disclosed |
| CN-102480961-A | Pyrimidine compounds fused with oxygen-containing heterocycles, compositions, and methods of use | GENENTECH INC | 2012-05-30 | — | — | CN | disclosed |
| US-7297168-B2 | Keratin dyeing compounds, keratin dyeing compositions containing them, and use thereof | THE PROCTER & GAMBLE COMPANY (US) | 2007-11-20 | — | — | US | disclosed |
| EP-1737417-A2 | KERATIN DYEING COMPOUNDS, KERATIN DYEING COMPOSITIONS CONTAINING THEM, AND USE THEREOF | The Procter and Gamble Company (US) | 2007-01-03 | — | — | EP | disclosed |
| US-20050198745-A1 | Keratin dyeing compounds, keratin dyeing compositions containing them, and use thereof | PROCTER & GAMBLE COMPANY, THE | 2005-09-15 | — | — | US | disclosed |
| WO-2005074875-A2 | KERATIN DYEING COMPOUNDS, KERATIN DYEING COMPOSITIONS CONTAINING THEM, AND USE THEREOF | THE PROCTER & GAMBLE COMPANY (US) | 2005-08-18 | — | — | WO | disclosed |