⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL28450407 | 0.64 | ALDH1A1 (0.31) | — | |
| SCHEMBL2043339 | 0.59 | — | — | |
| SCHEMBL2890661 | 0.59 | MAPT (0.31) | — | |
| SCHEMBL649191 | 0.59 | — | — | |
| SCHEMBL447325 | 0.58 | — | — | |
| SCHEMBL58486 | 0.55 | TSHR (0.46) | — | |
| SCHEMBL5317996 | 0.53 | — | — | |
| SCHEMBL2798679 | 0.48 | — | — | |
| SCHEMBL651428 | 0.48 | MEN1 (0.75) | — | |
| SCHEMBL1194020 | 0.47 | TSHR (0.45) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-11548854-B2 | Heterocyclic compounds as pesticides | BAYER CROPSCIENCE AG (DE) | 2023-01-10 | — | — | US | disclosed |
| EP-3935048-A1 | AROMATIC DERIVATIVES, PREPARATION METHODS, AND MEDICAL USES THEREOF | Bioardis LLC (US) | 2022-01-12 | — | — | EP | disclosed |
| US-20210053924-A1 | HETEROCYCLIC COMPOUNDS AS PESTICIDES | BAYER CROPSCIENCE AG (DE) | 2021-02-25 | — | — | US | disclosed |
| US-20120291159-A1 | Azoline Compounds for Combating Invertebrate Pests | BASF SE (DE) | 2012-11-15 | — | — | US | disclosed |
| WO-2011073444-A2 | AZOLINE COMPOUNDS FOR COMBATING INVERTEBRATE PESTS | BASF SE (DE) | 2011-06-23 | — | — | WO | disclosed |