⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL79401 | 0.80 | ALDH1A1 (0.50) | — | |
| SCHEMBL4776137 | 0.79 | — | — | |
| SCHEMBL10908094 | 0.79 | ALDH1A1 (0.56) | — | |
| SCHEMBL127780 | 0.78 | — | — | |
| SCHEMBL129842 | 0.78 | — | — | |
| SCHEMBL903490 | 0.77 | — | — | |
| SCHEMBL112149 | 0.77 | ALDH1A1 (0.53) | — | |
| SCHEMBL8645598 | 0.77 | ALDH1A1 (0.53) | — | |
| SCHEMBL14763884 | 0.77 | ALDH1A1 (0.53) | — | |
| SCHEMBL805601 | 0.77 | ALDH1A1 (0.53) | — |
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 101 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-102875569-A | Isoxazole pyrimidone (or triazone) compounds with herbicidal activity and anti-liver cancer activity | UNIV NANKAI | 2013-01-16 | — | — | CN | claimed |
| CN-1625400-B | 2, 4-pyrimidinediamine compounds and uses thereof | RIGEL PHARMACEUTICALS INC | 2011-04-13 | — | — | CN | claimed |
| CN-101215289-A | 3-substituted phenyl-pyrazolo[3,4-d][1,2,3]triazin-4-one compounds with PPO restraining activity and weeding activity | UNIV NANKAI (CN) | 2008-07-09 | — | — | CN | claimed |
| JP-2007506716-A | — | — | 2007-03-22 | — | — | JP | claimed |
| EP-1670786-A1 | QUINAZOLINE DERIVATIVES | Astrazeneca AB (SE) | 2006-06-21 | — | — | EP | claimed |
| WO-2005030757-A1 | QUINAZOLINE DERIVATIVES | ASTRAZENECA AB (SE) | 2005-04-07 | — | — | WO | claimed |
| CN-1390208-A | Substituted phenyluracils and their use as herbicides | BAYER AG (DE) | 2003-01-08 | — | — | CN | claimed |
| CN-1035286-A | The amino acid derivative of renin-inhibiting | HOECHST AG (DE) | 1989-09-06 | — | — | CN | claimed |
| CN-109914105-A | A kind of environment-friendly type garment material finishing auxiliaries | 绍兴市荣士达衬布有限公司 | 2019-06-21 | — | — | CN | disclosed |
| EP-2374794-B1 | CYCLIC AMINE COMPOUNDS | DAIICHI SANKYO CO LTD (JP) | 2015-11-04 | — | — | EP | disclosed |
| CN-104927670-A | Leather sofa brightener | QINGDAO GUOHANG XIANGYU TECHNOLOGY SERVICE CO LTD | 2015-09-23 | — | — | CN | disclosed |
| CN-104357230-A | Improved efficient decontaminating brightener | QINGDAO WENSHENG AUTOMOBILE COMPONENTS & PARTS CO LTD | 2015-02-18 | — | — | CN | disclosed |
| CN-104357230-A | Improved efficient decontaminating brightener | QINGDAO WENSHENG AUTOMOBILE COMPONENTS & PARTS CO LTD | 2015-02-18 | — | — | CN | disclosed |
| CN-102174024-B | 2,4-pyrimidinediamine compounds and their uses | RIGEL PHARMACEUTICALS INC | 2015-02-11 | — | — | CN | disclosed |
| US-5328908-A | Antimicrobial quinolone thioureas | PROCTER & GAMBLE PHARMACEUTICALS, INC. (US) | 1994-07-12 | — | — | US | disclosed |
| CN-1072677-A | Aromatic amidine derivative and salt thereof | DAIICHI SEIYAKU CO (JP) | 1993-06-02 | — | — | CN | disclosed |
| CN-1068333-A | Has hydrazine analog derivative of pharmacologically active and preparation method thereof | CIBA GEIGY AG (CH) | 1993-01-27 | — | — | CN | disclosed |
| CN-1046903-A | Process for preparing heterocyclic ether derivatives | ICI PLC (GB) | 1990-11-14 | — | — | CN | disclosed |
| CN-1035286-A | The amino acid derivative of renin-inhibiting | HOECHST AG (DE) | 1989-09-06 | — | — | CN | disclosed |
| CN-86102263-A | A kind of novel androstane-17's preparation | — | 1987-02-04 | — | — | CN | disclosed |