⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL12226479 | 0.97 | GAA (0.56) | — | |
| SCHEMBL1908586 | 0.97 | GAA (0.56) | — | |
| Hydrochloric Acid SCHEMBL5552935 | 0.97 | ALDH1A1 (0.55) | — | |
| Hydrochloric Acid SCHEMBL2672515 | 0.95 | ALDH1A1 (0.59) | — | |
| SCHEMBL1908554 | 0.94 | — | — | |
| SCHEMBL13165521 | 0.88 | NPSR1 (0.46) | — | |
| SCHEMBL12909322 | 0.88 | — | — | |
| SCHEMBL8060957 | 0.88 | NPSR1 (0.46) | — | |
| SCHEMBL13527664 | 0.88 | NPSR1 (0.46) | — | |
| SCHEMBL22815172 | 0.84 | HSD17B10 (0.47) | — |
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 196 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2451297-B1 | FLAVORING COMPOSITIONS FOR SAVORY APPLICATIONS | FIRMENICH & CIE (CH) | 2013-07-03 | — | — | EP | claimed |
| EP-2451297-A2 | FLAVORING COMPOSITIONS FOR SAVORY APPLICATIONS | Firmenich S.A. (CH) | 2012-05-16 | — | — | EP | claimed |
| WO-2011006080-A2 | FLAVORING COMPOSITIONS FOR SAVORY APPLICATIONS | FIRMENICH SA (CH) | 2011-01-13 | — | — | WO | claimed |
| JP-9140348-A | — | — | None | — | — | JP | disclosed |
| CN-117776918-A | Method for preparing 4-acetobutyrate with high conversion rate and high selectivity | 江苏扬农化工股份有限公司 | 2024-03-29 | — | — | CN | disclosed |
| WO-2023250513-A1 | 13-MEMBERED MACROLIDE COMPOUNDS FOR TREATING DISEASES MEDIATED BY ABNORMAL PROTEIN TRANSLATION | ZIKANI THERAPEUTICS, INC. (US) | 2023-12-28 | — | — | WO | disclosed |
| US-20230278983-A1 | INDOLE DERIVATIVES AND USES THEREOF FOR TREATING A CANCER | UNIVERSITE CLAUDE BERNARD LYON 1 (FR) | 2023-09-07 | — | — | US | disclosed |
| WO-2023142600-A1 | AMINO LIPID, PREPARATION METHOD THEREFOR, AND USE THEREOF | 深圳虹信生物科技有限公司 | 2023-08-03 | — | — | WO | disclosed |
| EP-4215188-A1 | AN AMINO LIPID, PREPARATION METHOD AND APPLICATION THEREOF | Shenzhen MagicRNA Biotechnology Co., Ltd. (CN) | 2023-07-26 | — | — | EP | disclosed |
| US-11185514-B2 | Aqueous solution comprising a polyphenol | OPTERION HEALTH AG (CH) | 2021-11-30 | — | — | US | disclosed |
| US-11160766-B2 | Peritoneal therapeutic fluid | OPTERION HEALTH AG (CH) | 2021-11-02 | — | — | US | disclosed |
| WO-2007026959-A2 | DERIVATIVES OF 4-PIPERAZIN-1-YL-4-BENZ0 [B] THIOPHENE SUITABLE FOR THE TREATMENT OF CNS DISORDERS | OTSUKA PHARMACEUTICAL CO., LTD. (JP) | 2007-03-08 | — | — | WO | disclosed |
| EP-1336612-B1 | NOVEL CARBAPENEM DERIVATIVES | MEIJI SEIKA KAISHA (JP) | 2007-01-17 | — | — | EP | disclosed |
| WO-2006081273-A1 | 3-ARYL-3-HYDROXY-2-AMINO-PROPIONIC ACID AMIDES, 3-HETEROAYRYL-3-HYDROXY-2-AMINO-PROPIONIC ACID AMIDES AND RELATED COMPOUNDS HAVING ANALGESIC AND/OR IMMUNOSTIMULANT ACTIVITY | ALLERGAN, INC. (US) | 2006-08-03 | — | — | WO | disclosed |
| US-6875765-B2 | Arylsulfonamide ethers, and methods of use thereof | WARNER-LAMBERT COMPANY (US) | 2005-04-05 | — | — | US | disclosed |
| JP-H09140348-A | AGENT FOR IMPROVING FLAVOR AND SMELL QUALITY OF FOOD PERFUME AND IMPROVEMENT OF FLAVOR AND SMELL QUALITY OF FOOD PERFUME AND FOOD PERFUME COMPOSITION | SHIONO KORYO KK | 1997-06-03 | — | — | JP | disclosed |
| US-5319125-A | Catalyzing cyclopentanone with unsaturated nitrile in presence of pyrrolidine | DSM N.V. (NL) | 1994-06-07 | — | — | US | disclosed |
| EP-0068866-B1 | METHOD OF MANUFACTURING ACETONE OR METHYL ETHYL KETONE | TOA NENRYO KOGYO KABUSHIKI KAISHA (JP) | 1985-07-24 | — | — | EP | disclosed |
| US-4481373-A | CATALYTIC OXIDATION OF OLEFINS IN PRESENCE OF TERTIARY AMINE OF AMIDE | TOA NENRYO KOGYO KABUSHIKI KAISHA (JP) | 1984-11-06 | — | — | US | disclosed |
| EP-0068866-A1 | Method of manufacturing acetone or methyl ethyl ketone | TOA NENRYO KOGYO KABUSHIKI KAISHA (JP) | 1983-01-05 | — | — | EP | disclosed |