⚠ 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 | |
|---|---|---|---|---|
| Bicarbonate SCHEMBL28078596 | 0.74 | CA1 (0.36) | — | |
| SCHEMBL919091 | 0.72 | — | — | |
| SCHEMBL5597606 | 0.72 | ALDH1A1 (0.38) | — | |
| Bicarbonate SCHEMBL6903775 | 0.70 | CA1 (0.50) | — | |
| SCHEMBL54079 | 0.70 | — | — | |
| SCHEMBL919093 | 0.69 | — | — | |
| SCHEMBL305079 | 0.69 | — | — | |
| SCHEMBL8007543 | 0.67 | — | — | |
| Ethane SCHEMBL27724192 | 0.67 | — | — | |
| SCHEMBL9440400 | 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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2020002083-A1 | SUBSTITUTED HETEROCYCLIC PYRROLONES AND SALTS THEREOF AND USE THEREOF AS HERBICIDAL AGENTS | BAYER AKTIENGESELLSCHAFT (DE) | 2020-01-02 | — | — | WO | claimed |