⚠ 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 SCHEMBL16655973 | 0.97 | — | — | |
| SCHEMBL7399818 | 0.65 | — | — | |
| SCHEMBL30579589 | 0.62 | — | — | |
| SCHEMBL22716329 | 0.62 | — | — | |
| SCHEMBL28632263 | 0.62 | — | — | |
| SCHEMBL25421706 | 0.62 | — | — | |
| SCHEMBL8626307 | 0.58 | CYP3A4 (0.40) | — | |
| SCHEMBL203217 | 0.58 | GAA (0.71) | — | |
| SCHEMBL29534050 | 0.58 | GAA (0.71) | — | |
| SCHEMBL64092 | 0.58 | GAA (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 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 |
| US-8507680-B2 | Production process of a heteroaryl-type boron compounds with iridium catalyst | MITSUBISHI RAYON CO., LTD. (JP) | 2013-08-13 | — | — | US | disclosed |
| US-20120142924-A1 | PRODUCTION PROCESS OF A HETEROARYL-TYPE BORON COMPOUNDS WITH IRIDIUM CATALYST | MITSUBISHI RAYON CO., LTD. (JP) | 2012-06-07 | — | — | US | disclosed |
| US-8143407-B2 | Process for production of heteroaryl-type boron compounds with iridium catalyst | MITSUBISHI RAYON CO., LTD. (JP) | 2012-03-27 | — | — | US | disclosed |
| EP-1481978-B1 | PROCESS FOR PRODUCTION OF HETEROARYL-TYPE BORON COMPOUNDS WITH IRIDIUM CATALYST | MITSUBISHI RAYON CO (JP) | 2011-09-14 | — | — | EP | disclosed |
| US-20100010224-A1 | PROCESS FOR PRODUCTION OF HETEROARYL-TYPE BORON COMPOUNDS WITH IRIDIUM CATALYST | MITSUBISHI RAYON CO., LTD. (JP) | 2010-01-14 | — | — | US | disclosed |
| US-7612218-B2 | Process for production of heteroaryl-type boron compounds with iridium catalyst | MITSUBISHI RAYON CO., LTD. (JP) | 2009-11-03 | — | — | US | 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 |
| US-20050148775-A1 | Process for production of heteroaryl-type boron compounds with iridium catalyst | MITSUBISHI RAYON CO., LTD. (JP) | 2005-07-07 | — | — | US | disclosed |
| EP-1481978-A1 | PROCESS FOR PRODUCTION OF HETEROARYL-TYPE BORON COMPOUNDS WITH IRIDIUM CATALYST | Mitsubishi Rayon Co., Ltd. (JP) | 2004-12-01 | — | — | EP | disclosed |