⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4763072 | 0.76 | SLC6A4 (0.37) | — | |
| SCHEMBL31467964 | 0.76 | — | — | |
| Formic Acid SCHEMBL29148169 | 0.75 | SLC6A4 (0.39) | — | |
| SCHEMBL8508207 | 0.75 | SLC6A4 (0.36) | — | |
| SCHEMBL1548500 | 0.75 | — | — | |
| SCHEMBL25371975 | 0.74 | — | — | |
| SCHEMBL15706625 | 0.74 | SLC6A4 (0.43) | — | |
| SCHEMBL12917335 | 0.74 | SLC6A4 (0.43) | — | |
| SCHEMBL27857859 | 0.74 | FFAR4 (0.43) | — | |
| SCHEMBL725380 | 0.72 | — | — |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-116514622-A | Method for simply synthesizing alpha-bromomethyl ketone compound | 湖南工学院 | 2023-08-01 | — | — | CN | disclosed |
| CN-112898309-A | Tricyclic compounds as immunomodulators | 正大天晴药业集团股份有限公司 | 2021-06-04 | — | — | CN | disclosed |
| CN-108884103-B | Tricyclic compounds as immunomodulators | 正大天晴药业集团股份有限公司 | 2021-01-15 | — | — | CN | disclosed |
| EP-2376489-A1 | Alkaloid aminoester derivatives and medicinal composition thereof | Chiesi Farmaceutici S.p.A. (IT) | 2011-10-19 | — | — | EP | disclosed |
| WO-2010072338-A1 | ALKALOID AMINOESTER DERIVATIVES AND MEDICINAL COMPOSITION THEREOF | CHIESI FARMACEUTICI S.P.A. (IT) | 2010-07-01 | — | — | WO | disclosed |
| EP-1658285-A1 | COMPOUNDS, METHODS AND FORMULATIONS FOR THE ORAL DELIVERY OF A GLUCAGON LIKE PEPTIDE (GLP)-1 COMPOUND OR AN MELANOCORTIN 4 RECEPTOR (MC4) AGONIST PEPTIDE | ELI LILLY AND COMPANY (US) | 2006-05-24 | — | — | EP | disclosed |
| WO-2005019212-A1 | COMPOUNDS, METHODS AND FORMULATIONS FOR THE ORAL DELIVERY OF A GLUCAGON LIKE PEPTIDE (GLP)-1 COMPOUND OR AN MELANOCORTIN 4 RECEPTOR (MC4) AGONIST PEPTIDE | ELI LILLY AND COMPANY (US) | 2005-03-03 | — | — | WO | disclosed |