⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3293710 | 0.80 | — | — | |
| SCHEMBL13074417 | 0.72 | AR (0.52) | — | |
| SCHEMBL17603174 | 0.72 | MCL1 (0.41) | — | |
| SCHEMBL3480692 | 0.69 | — | — | |
| SCHEMBL6789604 | 0.68 | — | — | |
| SCHEMBL8822902 | 0.68 | — | — | |
| SCHEMBL11392877 | 0.68 | — | — | |
| SCHEMBL7623112 | 0.64 | KDM4E (0.36) | — | |
| SCHEMBL19284330 | 0.64 | — | — | |
| SCHEMBL5174347 | 0.63 | — | — |
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 13 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20050198745-A1 | Keratin dyeing compounds, keratin dyeing compositions containing them, and use thereof | PROCTER & GAMBLE COMPANY, THE | 2005-09-15 | — | — | US | claimed |
| CN-110903231-B | 2-cyanopyrrole compounds and synthesis method thereof | 上海大学 | 2022-11-08 | — | — | CN | disclosed |
| CN-110372564-B | 2-amino-4-acyl pyrrole compound and preparation method thereof | 嘉兴学院 | 2021-07-06 | — | — | CN | disclosed |
| CN-110903231-A | 2-cyanopyrrole compounds and synthesis method thereof | 上海大学 | 2020-03-24 | — | — | CN | disclosed |
| CN-110372564-A | A kind of 2- amino -4- acyl pyrroline compound and preparation method thereof | 嘉兴学院 | 2019-10-25 | — | — | CN | disclosed |
| CN-109415321-A | aromatic sulfonamide derivatives | 拜耳制药股份公司 | 2019-03-01 | — | — | CN | disclosed |
| CN-1950343-B | Amine-based basic compound and use thereof | KUREHA CORP | 2013-06-19 | — | — | CN | disclosed |
| CN-101287461-A | Use of 5-amido-1h-pyrrole-2-nitrile derivative as progesterone receptor modulators | WYETH CORP (US) | 2008-10-15 | — | — | 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 |
| CN-1950343-A | Amine-based basic compound and use thereof | KUREHA CORP (JP) | 2007-04-18 | — | — | CN | 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 |