⚠ 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 SCHEMBL10332216 | 0.97 | — | — | |
| Butane SCHEMBL7718849 | 0.89 | FDPS (0.39) | — | |
| SCHEMBL19475096 | 0.75 | — | — | |
| SCHEMBL9816012 | 0.75 | — | — | |
| SCHEMBL1159753 | 0.73 | FDPS (0.33) | — | |
| Hydrochloric Acid SCHEMBL10332240 | 0.73 | — | — | |
| SCHEMBL27334820 | 0.71 | — | — | |
| SCHEMBL31408929 | 0.69 | — | — | |
| SCHEMBL1052334 | 0.69 | — | — | |
| SCHEMBL6511678 | 0.69 | — | — |
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 868 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-114369112-B | Organic optical nonlinear chromophore based on double-donor structure, and synthesis method and application thereof | 广州大学 | 2024-04-09 | — | — | CN | claimed |
| WO-2023275705-A1 | A PROCESS FOR THE PREPARATION OF PYRAZOLOPYRIDINE-DIAMIDES OF FORMULA (I) AND INTERMEDIATES THEREOF | PI INDUSTRIES LTD. (IN) | 2023-01-05 | — | — | WO | claimed |
| CN-114656433-A | Thioisoprophorone bridge modified double-donor organic optical nonlinear chromophore and synthetic method and application thereof | 广州大学 | 2022-06-24 | — | — | CN | claimed |
| CN-114369112-A | Organic optical nonlinear chromophore based on double-donor structure and synthetic method and application thereof | 广州大学 | 2022-04-19 | — | — | CN | claimed |
| WO-2019072864-A1 | PROCESS FOR THE PREPARATION OF AGOMELATINE IN CRYSTALLINE FORM | KRKA, D.D., NOVO MESTO (SI) | 2019-04-18 | — | — | WO | claimed |
| EP-3466923-A1 | PROCESS FOR THE PREPARATION OF AGOMELATINE IN CRYSTALLINE FORM | KRKA, d.d., Novo mesto (SI) | 2019-04-10 | — | — | EP | claimed |
| EP-3310781-A1 | PROCESSES AND INTERMEDIATES FOR THE PREPARATION OF {1-(ETHYLSULFONYL)-3-[4-(7H-PYRROLO[2,3-d]PYRIMIDIN-4-YL)-1H-PYRAZOL-1-YL]AZETIDIN-3-YL}ACETONITRILE | Eli Lilly and Company (US) | 2018-04-25 | — | — | EP | claimed |
| WO-2016205487-A1 | PROCESSES AND INTERMEDIATES FOR THE PREPARATION OF {1-(ETHYLSULFONYL)-3-[4-(7H-PYRROLO[2,3-d]PYRIMIDIN-4-YL)-1H-PYRAZOL-1-YL]AZETIDIN-3-YL}ACETONITRILE | ELI LILLY AND COMPANY (US) | 2016-12-22 | — | — | WO | claimed |
| US-9447362-B2 | Nitrile compound | KAO CORPORATION (JP) | 2016-09-20 | — | — | US | claimed |
| US-20150353480-A1 | NITRILE COMPOUND | KAO CORPORATION (JP) | 2015-12-10 | — | — | US | claimed |
| WO-2011104680-A1 | OXADIAZOLE COMPOUNDS, THEIR PREPARATION AND USE | PIRAMAL LIFE SCIENCES LIMITED (IN) | 2011-09-01 | — | — | WO | claimed |
| WO-2011027319-A1 | PROCESS FOR THE PREPARATION OF AN INTERMEDIATE FOR RAMELTEON | RANBAXY LABORATORIES LIMITED (IN) | 2011-03-10 | — | — | WO | claimed |
| WO-2010092107-A1 | SYNTHESIS OF (S)-N-[2-(1,6,7,8-TETRAHYDRO-2H-INDENO-[5,4-B]FURAN-8-YL)ETHYL]PROPIONAMIDE | LEK PHARMACEUTICALS D.D. (SI) | 2010-08-19 | — | — | WO | claimed |
| US-7276637-B2 | Synthesis of cyclohexanone derivatives | MERCK SHARP & DOHME LIMITED (GB) | 2007-10-02 | — | — | US | claimed |
| EP-1560809-B1 | CYCLOHEXYLUREA DERIVATIVES | GRUENENTHAL GMBH (DE) | 2007-08-22 | — | — | EP | claimed |
| US-20050261358-A1 | antinociceptive agent of opioid-receptor for treating pain; tert-aminecyclohexyl-urea, or -thiourea, or -amide derivatives; 1-(4-dimethylamino-4-phenylcyclohexyl)-3-(3-phenylpropyl)urea hydrochloride; stereoisomers; racemic mixtures | GRUENENTHAL GMBH (DE) | 2005-11-24 | — | — | US | claimed |
| US-20050222456-A1 | Synthesis of cyclohexanone derivatives | MERCK SHARP & DOHME LTD. (GB) | 2005-10-06 | — | — | US | claimed |
| EP-1099694-B1 | PROCESS FOR THE PREPARATION OF QUINOLINE DERIVATIVE AND INTERMEDIATE THEREFOR | NISSAN CHEMICAL IND LTD (JP) | 2005-08-17 | — | — | EP | claimed |
| WO-2004013090-A1 | SYNTHESIS OF CYCLOHEXANONE DERIVATIVES | MERCK SHARP & DOHME LIMITED (GB) | 2004-02-12 | — | — | WO | claimed |
| EP-0260305-B1 | QUINOLINYL ETHER TETRAZOLE AS AGENT FOR THE TREATMENT OF HYPERSENSITIVE AILMENTS | RHONE-POULENC RORER INTERNATIONAL (HOLDINGS) INC. (US) | 1992-12-16 | — | — | EP | claimed |