⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2735121 | 0.74 | ALDH1A1 (0.41) | — | |
| SCHEMBL4609242 | 0.74 | ALDH1A1 (0.41) | — | |
| SCHEMBL6552918 | 0.72 | ALDH1A1 (0.34) | — | |
| SCHEMBL5159311 | 0.72 | ALDH1A1 (0.40) | — | |
| SCHEMBL13864131 | 0.72 | ALDH1A1 (0.40) | — | |
| SCHEMBL5163869 | 0.72 | ALDH1A1 (0.40) | — | |
| SCHEMBL11030766 | 0.72 | ALDH1A1 (0.40) | — | |
| SCHEMBL15966558 | 0.71 | ALDH1A1 (0.32) | — | |
| SCHEMBL19009 | 0.70 | — | — | |
| SCHEMBL15154659 | 0.70 | ALDH1A1 (0.34) | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20230131260-A1 | SUBSTITUTED THIOPHENYL URACILS, SALTS THEREOF AND THE USE THEREOF AS HERBICIDAL AGENTS | SYNGENTA CROP PROTECTION AG (CH) | 2023-04-27 | — | — | US | disclosed |
| WO-2014127111-A1 | PEPTOIDS THAT BIND SPECIFIC ANTIGENS | THE SCRIPPS RESEARCH INSTITUTE (US) | 2014-08-21 | — | — | WO | disclosed |
| US-7220765-B2 | Derivatives of 2-arylimino-2,3-dihydrothiazoles, their preparation processes and their therapeutic use | SOCIETE DE CONSEILS DE RECHERCHES ET D'APPLICATIONS SCIENTIFIQUES (SCRAS) (FR) | 2007-05-22 | — | — | US | disclosed |