⚠ 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 | |
|---|---|---|---|---|
| Isobutyramide SCHEMBL2357147 | 0.87 | — | — | |
| Isobutyramide SCHEMBL2548633 | 0.87 | — | — | |
| Isobutyramide SCHEMBL7569768 | 0.87 | LMNA (0.43) | — | |
| Isobutyramide SCHEMBL23363968 | 0.83 | MCL1 (0.31) | — | |
| Isobutyramide SCHEMBL27949096 | 0.83 | — | — | |
| Isobutyramide SCHEMBL2829019 | 0.83 | — | — | |
| Isobutyramide SCHEMBL3323 | 0.83 | — | — | |
| Isobutyramide SCHEMBL11109750 | 0.83 | LMNA (0.46) | — | |
| Isobutyramide SCHEMBL11385303 | 0.80 | ALDH1A1 (0.47) | — | |
| Isobutyramide SCHEMBL2402176 | 0.79 | — | — |
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 31 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20080312430-A1 | Method of Preparing or Synthesizing Polyazamacrocycle Derivatives | THERAPHARM GMBH (CH) | 2008-12-18 | — | — | US | claimed |
| EP-1812453-A1 | METHOD OF PREPARING OR SYNTHESIZING POLYAZAMACROCYCLE DERIVATIVES | Therapharm GmbH (CH) | 2007-08-01 | — | — | EP | claimed |
| WO-2006045546-A1 | METHOD OF PREPARING OR SYNTHESIZING POLYAZAMACROCYCLE DERIVATIVES | THERAPHARM GMBH (CH) | 2006-05-04 | — | — | WO | claimed |
| US-4000139-A | ERGOT ALKALOID INTERMEDIATES | SANDOZ LTD. (CH) | 1976-12-28 | — | — | US | claimed |
| US-20200339622-A1 | METHOD FOR PREPARING A FARNESOID X RECEPTOR AGONIST | DIPHARMA FRANCIS S.R.L. (IT) | 2020-10-29 | — | — | US | disclosed |
| US-10752654-B2 | Method for preparing a farnesoid X receptor agonist | DIPHARMA FRANCIS S.R.L. (IT) | 2020-08-25 | — | — | US | disclosed |
| US-20190106455-A1 | METHOD FOR PREPARING A FARNESOID X RECEPTOR AGONIST | DIPHARMA FRANCIS S.R.L. (IT) | 2019-04-11 | — | — | US | disclosed |
| EP-3440092-A1 | METHOD FOR PREPARING A FARNESOID X RECEPTOR AGONIST | Dipharma Francis S.r.l. (IT) | 2019-02-13 | — | — | EP | disclosed |
| CN-105246940-B | Optical semiconductor sealing solidification compound | 株式会社大赛璐 | 2018-09-04 | — | — | CN | disclosed |
| CN-108353475-A | composition for sealing | 株式会社大赛璐 | 2018-07-31 | — | — | CN | disclosed |
| US-20180200378-A1 | COMPOUNDS FOR TREATING CANCER | Bicyclerd Limited (GB) | 2018-07-19 | — | — | US | disclosed |
| CN-108043476-A | The manufacturing method of the renovation process of hydrogenation catalyst and the hydride of polyalcohol | 株式会社大赛璐 | 2018-05-18 | — | — | CN | disclosed |
| EP-0968197-A1 | EFFICIENT SYNTHESIS OF A 1,4-DIHYDRO-2H-3,1-BENZOXAZIN-2-ONE | Merck & Co., Inc. (US) | 2000-01-05 | — | — | EP | disclosed |
| US-5922864-A | ADDING AN ARYL CHLOROFORMATE TO A STIRRING MIXTURE OF AN AMINO ALCOHOL DERIVATIVE IN AN ORGANIC SOLVENT WITH A BASE TO PRODUCE CARBAMATE INTERMEDIATE, STIRRING, QUENCHING WITH WATER OR AQUEOUS BASE, STIRRING UNTIL CYCLIZATION, ISOLATING | MERCK & CO., INC. (US) | 1999-07-13 | — | — | US | disclosed |
| WO-1998034928-A1 | EFFICIENT SYNTHESIS OF A 1,4-DIHYDRO-2H-3,1-BENZOXAZIN-2-ONE | MERCK & CO., INC. (US) | 1998-08-13 | — | — | WO | disclosed |
| EP-0015773-B1 | N-(6-((ACYLAMINOACYLAMINO OR AMINOACYLAMINO)PHENYL) 1,2-DIHYDRO-2-OXONICOTINYL)PENICILLIN COMPOUNDS, PROCESSES FOR THEIR PRODUCTION AND COMPOSITIONS CONTAINING THEM | WARNER-LAMBERT COMPANY (US) | 1983-07-20 | — | — | EP | disclosed |
| US-4326068-A | Process of preparing hexafluorothioacetone dimer | ALLIED CORPORATION (US) | 1982-04-20 | — | — | US | disclosed |
| US-4278681-A | N-/6-//ACYLAMINOACYLAMINO OR AMINOACYLAMINO/PHENYL/-1,2-DIHYDRO-2-OXONICOTINYL/PENICILLINS | WARNER-LAMBERT CO. (US) | 1981-07-14 | — | — | US | disclosed |
| EP-0015773-A2 | N-(6-((acylaminoacylamino or aminoacylamino)phenyl) 1,2-dihydro-2-oxonicotinyl)penicillin compounds, processes for their production and compositions containing them | WARNER-LAMBERT COMPANY (US) | 1980-09-17 | — | — | EP | disclosed |
| US-4209616-A | BACTERICIDES HAVING ALPHA-HYDROXIMINO- OR ALPHA-ACYLOIMINOACYLAMIDO GROUPS | GLAXO LABORATORIES LIMITED (GB) | 1980-06-24 | — | — | US | disclosed |