⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL21900270 | 1.00 | — | — | |
| Hydrochloric Acid SCHEMBL6658016 | 0.95 | TP53 (0.35) | — | |
| SCHEMBL1275649 | 0.88 | ALDH1A1 (0.36) | — | |
| SCHEMBL18790522 | 0.78 | — | — | |
| SCHEMBL28007148 | 0.78 | ANPEP (0.45) | — | |
| SCHEMBL11664771 | 0.78 | — | — | |
| SCHEMBL27732079 | 0.78 | ALDH1A1 (0.32) | — | |
| SCHEMBL7769474 | 0.77 | — | — | |
| SCHEMBL21548242 | 0.76 | ANPEP (0.46) | — | |
| SCHEMBL9517620 | 0.76 | ANPEP (0.44) | — |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-114667131-A | Oxidation wool dyeing agent | 朋友株式会社 | 2022-06-24 | — | — | CN | disclosed |
| WO-2018071327-A1 | MOLECULES HAVING PESTICIDAL UTILITY, AND INTERMEDIATES, COMPOSITIONS, AND PROCESSES, RELATED THERETO | DOW AGROSCIENCES LLC (US) | 2018-04-19 | — | — | WO | disclosed |
| EP-1994008-B1 | IMIDAZOLE COMPOUNDS HAVING PHARMACEUTICAL ACTIVITY TOWARDS THE SIGMA RECEPTOR | ESTEVE LABOR DR (ES) | 2016-08-10 | — | — | EP | disclosed |
| US-6518354-B1 | Dispersing emulsion of a thermoplastic elastomer as an asphalt modifier imparting preferable properties to asphalt | JSR CORPORATION (JP) | 2003-02-11 | — | — | US | disclosed |
| EP-1114844-A1 | EMULSION OF THERMOPLASTIC ELASTOMER AND PROCESS FOR PRODUCING THE SAME | JSR Corporation (JP) | 2001-07-11 | — | — | EP | disclosed |