⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5503 | 0.78 | CA1 (0.37) | — | |
| Hydrochloric Acid SCHEMBL8710294 | 0.76 | CA1 (0.35) | — | |
| SCHEMBL14248747 | 0.76 | KDM4E (0.33) | — | |
| SCHEMBL14167181 | 0.76 | KDM4E (0.33) | — | |
| SCHEMBL11021093 | 0.76 | NOS2 (0.31) | — | |
| SCHEMBL10693782 | 0.74 | GABRR1 (0.38) | — | |
| SCHEMBL5540 | 0.74 | CA1 (0.39) | — | |
| SCHEMBL30837191 | 0.73 | — | — | |
| Hydrochloric Acid SCHEMBL3354866 | 0.73 | CA1 (0.38) | — | |
| SCHEMBL2810383 | 0.71 | CA2 (0.50) | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3668855-A1 | HERBICIDAL COMPOUNDS | Syngenta Participations AG (CH) | 2020-06-24 | — | — | EP | disclosed |
| WO-2019034757-A1 | HERBICIDAL COMPOUNDS | SYNGENTA PARTICIPATIONS AG (CH) | 2019-02-21 | — | — | WO | disclosed |