⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL19163996 | 1.00 | — | — | |
| Hydrochloric Acid SCHEMBL19137645 | 0.98 | TSHR (0.33) | — | |
| Hydrochloric Acid SCHEMBL19137644 | 0.98 | TSHR (0.33) | — | |
| SCHEMBL10946624 | 0.81 | — | — | |
| SCHEMBL19163687 | 0.76 | — | — | |
| SCHEMBL19197762 | 0.76 | — | — | |
| SCHEMBL17935619 | 0.75 | ALDH1A1 (0.37) | — | |
| Hydrochloric Acid SCHEMBL19137493 | 0.74 | — | — | |
| Hydrochloric Acid SCHEMBL19137492 | 0.74 | — | — | |
| SCHEMBL361130 | 0.71 | — | — |
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-3407720-B1 | MOLECULES HAVING PESTICIDAL UTILITY, AND INTERMEDIATES, COMPOSITIONS, AND PROCESSES, RELATED THERETO | DOW AGROSCIENCES LLC (US) | 2021-03-10 | — | — | EP | disclosed |
| WO-2017132023-A1 | MOLECULES HAVING PESTICIDAL UTILITY, AND INTERMEDIATES, COMPOSITIONS, AND PROCESSES, RELATED THERETO | DOW AGROSCIENCES LLC (US) | 2017-08-03 | — | — | WO | disclosed |