⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3838641 | 1.00 | TSHR (0.44) | — | |
| SCHEMBL516108 | 1.00 | — | — | |
| SCHEMBL2562107 | 1.00 | TSHR (0.44) | — | |
| SCHEMBL96662 | 1.00 | — | — | |
| SCHEMBL334922 | 0.96 | — | — | |
| SCHEMBL96904 | 0.84 | — | — | |
| SCHEMBL5718534 | 0.78 | TSHR (0.67) | — | |
| SCHEMBL4002197 | 0.78 | TSHR (0.67) | — | |
| SCHEMBL977941 | 0.78 | TSHR (0.67) | — | |
| SCHEMBL2369151 | 0.78 | TSHR (0.67) | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2024005030-A1 | DIPHENYLETHENE-BASED COMPOUND, LIGHT ABSORBER, RESIN COMPOSITION, AND USE THEREOF | 山本化成株式会社 | 2024-01-04 | — | — | WO | disclosed |
| EP-1501361-B1 | 3-HETEROARYL SUBSTITUTED 5-METHYLOXYMETHYL ISOXAZOLINES USED AS HERBICIDES | BASF SE (DE) | 2009-09-30 | — | — | EP | disclosed |
| US-7381687-B2 | 3-heteroaryl substituted 5-methyloxymethyl isoxazolines used as herbicides | BASF AKTIENGESELLSCHAFT (DE) | 2008-06-03 | — | — | US | disclosed |
| US-20050165020-A1 | 3-heteroaryl substituted 5-methyloxymethyl isoxazolines used as herbicides | BASF AKTIENGESELLSCHAFT (DE) | 2005-07-28 | — | — | US | disclosed |