⚠ 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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL23167685 | 0.64 | GPR84 (0.53) | — | |
| SCHEMBL29639988 | 0.62 | KDM4E (0.41) | — | |
| SCHEMBL23207295 | 0.60 | GPR84 (0.51) | — | |
| SCHEMBL24208559 | 0.60 | GPR84 (0.61) | — | |
| SCHEMBL23207291 | 0.60 | IDO1 (0.42) | — | |
| SCHEMBL23207583 | 0.60 | IDO1 (0.46) | — | |
| Hydrochloric Acid SCHEMBL25384541 | 0.59 | GPR84 (0.50) | — | |
| SCHEMBL13657349 | 0.59 | ALDH1A1 (0.57) | — | |
| Hydrochloric Acid SCHEMBL23166769 | 0.59 | IDO1 (0.41) | — | |
| SCHEMBL23612158 | 0.59 | HTR2C (0.56) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-7351266-B2 | Keratin dyeing compounds, keratin dyeing compositions containing them, and use thereof | THE PROCTER & GAMBLE COMPANY (US) | 2008-04-01 | — | — | US | claimed |
| US-20050193504-A1 | Keratin dyeing compounds, keratin dyeing compositions containing them, and use thereof | PROCTER & GAMBLE COMPANY, THE | 2005-09-08 | — | — | US | claimed |
| EP-1720615-B1 | COSMETIC HAIR DYEING COMPOSITIONS CONTAINING THEM AND USE THEREOF | PROCTER & GAMBLE (US) | 2009-12-30 | — | — | EP | disclosed |
| US-7468080-B2 | Keratin dyeing compounds, keratin dyeing compositions containing them, and use thereof | THE PROCTER & GAMBLE COMPANY (US) | 2008-12-23 | — | — | US | disclosed |
| US-20080134450-A1 | Keratin Dyeing Compounds, Keratin Dyeing Compositions Containing Them, And Use Thereof | WELLA OPERATIONS US, LLC | 2008-06-12 | — | — | US | disclosed |
| US-7351266-B2 | Keratin dyeing compounds, keratin dyeing compositions containing them, and use thereof | THE PROCTER & GAMBLE COMPANY (US) | 2008-04-01 | — | — | US | disclosed |
| EP-1720615-A1 | KERATIN DYEING COMPOUNDS, KERATIN DYEING COMPOSITIONS CONTAINING THEM, AND USE THEREOF | The Procter and Gamble Company (US) | 2006-11-15 | — | — | EP | disclosed |
| WO-2005087187-A1 | KERATIN DYEING COMPOUNDS, KERATIN DYEING COMPOSITIONS CONTAINING THEM, AND USE THEREOF | THE PROCTER & GAMBLE COMPANY (US) | 2005-09-22 | — | — | WO | disclosed |
| US-20050193504-A1 | Keratin dyeing compounds, keratin dyeing compositions containing them, and use thereof | PROCTER & GAMBLE COMPANY, THE | 2005-09-08 | — | — | US | disclosed |