⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2490458 | 1.00 | — | — | |
| SCHEMBL9046 | 1.00 | — | — | |
| Water SCHEMBL27743477 | 0.97 | — | — | |
| Benzene SCHEMBL11284736 | 0.92 | TRPA1 (0.32) | — | |
| SCHEMBL824974 | 0.83 | — | — | |
| SCHEMBL526443 | 0.79 | — | — | |
| SCHEMBL27018815 | 0.79 | LMNA (0.31) | — | |
| SCHEMBL6547755 | 0.78 | TSHR (0.33) | — | |
| SCHEMBL19016291 | 0.77 | — | — | |
| SCHEMBL11642303 | 0.77 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-3956291-A1 | LOW TOXICITY ORGANIC TERTIARY AND QUATERNARY AMINES AND USES THEREOF | ANGUS Chemical Company (US) | 2022-02-23 | — | — | EP | disclosed |
| WO-2020214692-A1 | LOW TOXICITY ORGANIC TERTIARY AND QUATERNARY AMINES AND USES THEREOF | ANGUS CHEMICAL COMPANY (US) | 2020-10-22 | — | — | WO | disclosed |
| WO-2009067600-A2 | BIARYL PDE4 INHIBITORS FOR TREATING INFLAMMATION | DECODE GENETICS EHF (IS) | 2009-05-28 | — | — | WO | disclosed |