⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL149977 | 0.75 | — | — | |
| SCHEMBL15085742 | 0.62 | — | — | |
| SCHEMBL8449782 | 0.62 | — | — | |
| SCHEMBL269418 | 0.62 | — | — | |
| Hydrochloric Acid SCHEMBL16655973 | 0.61 | — | — | |
| SCHEMBL2460386 | 0.60 | — | — | |
| SCHEMBL13175805 | 0.60 | — | — | |
| SCHEMBL5960577 | 0.59 | NOTUM (0.42) | — | |
| SCHEMBL19674771 | 0.59 | — | — | |
| SCHEMBL12122255 | 0.59 | — | — |
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 15 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-110357809-A | A kind of simple and convenient process for preparing of 4- methyl piperidine -3- ketone and its derivative | 新发药业有限公司 | 2019-10-22 | — | — | CN | disclosed |
| CN-110015988-A | A kind of simple and convenient process for preparing of low cost 3- amino-4-methylpyridine | 新发药业有限公司 | 2019-07-16 | — | — | CN | disclosed |
| CN-106986821-B | A kind of aminomethyl pyridine analog derivative and its preparation method and application | 安徽星宇化工有限公司 | 2019-07-02 | — | — | CN | disclosed |
| US-9029536-B2 | Fused heterocyclic compounds | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2015-05-12 | — | — | US | disclosed |
| US-20130172292-A1 | FUSED HETEROCYCLIC COMPOUNDS | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2013-07-04 | — | — | US | disclosed |
| US-20120108639-A1 | NITROGEN-CONTAINING AROMATIC HETEROCYCLYL COMPOUND | DAIICHI SANKYO COMPANY, LIMITED (JP) | 2012-05-03 | — | — | US | disclosed |
| EP-2411010-A1 | NOVEL AMINOPYRIDINE DERIVATIVES HAVING AURORA A SELECTIVE INHIBITORY ACTION | MSD K.K. (JP) | 2012-02-01 | — | — | EP | disclosed |
| WO-2010111050-A1 | NOVEL AMINOPYRIDINE DERIVATIVES HAVING AURORA A SELECTIVE INHIBITORY ACTION | BANYU PHARMACEUTICAL CO., LTD. (JP) | 2010-09-30 | — | — | WO | disclosed |
| WO-2009109608-A1 | NOVEL COMPOUNDS | GLAXO GROUP LIMITED (GB) | 2009-09-11 | — | — | WO | 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 |
| CN-1256687-A | Prodrug forms of ribonucleotide reductase inhibitors 3-AP and 3-AMP | VION PHARMACEUTICALS INC (US) | 2000-06-14 | — | — | CN | disclosed |