⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL28228407 | 0.82 | CA5A (0.38) | — | |
| SCHEMBL8638096 | 0.79 | ALDH1A1 (0.34) | — | |
| SCHEMBL28143067 | 0.77 | CYP1A2 (0.37) | — | |
| SCHEMBL28143848 | 0.77 | CYP1A2 (0.37) | — | |
| Nitric Acid SCHEMBL14118459 | 0.77 | CA5A (0.50) | — | |
| Silver SCHEMBL28144145 | 0.77 | CYP1A2 (0.37) | — | |
| SCHEMBL28143833 | 0.77 | CYP1A2 (0.37) | — | |
| Zinc Ion SCHEMBL28426877 | 0.77 | CYP1A2 (0.37) | — | |
| Nitric Acid SCHEMBL241067 | 0.77 | CA5A (0.50) | — | |
| SCHEMBL4208076 | 0.74 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-20200100497-A1 | SAFENERS AND FORMULATIONS CONTAINING SAFENERS, BIOCIDES AND INOCULANTS | BAYER CROPSCIENCE LP (US) | 2020-04-02 | — | — | US | disclosed |
| WO-2018231647-A1 | SAFENERS AND FORMULATIONS CONTAINING SAFENERS, BIOCIDES AND INOCULANTS | BAYER CROPSCIENCE LP (US) | 2018-12-20 | — | — | WO | disclosed |