⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL19170300 | 1.00 | — | — | |
| SCHEMBL12344727 | 1.00 | — | — | |
| Hydrochloric Acid SCHEMBL19136882 | 0.98 | HPGD (0.44) | — | |
| Hydrochloric Acid SCHEMBL19136884 | 0.98 | HPGD (0.44) | — | |
| SCHEMBL787343 | 0.82 | — | — | |
| SCHEMBL10428130 | 0.82 | HPGD (0.42) | — | |
| SCHEMBL23071822 | 0.80 | — | — | |
| SCHEMBL1033955 | 0.80 | — | — | |
| SCHEMBL9854687 | 0.80 | — | — | |
| SCHEMBL2308779 | 0.80 | — | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-116178435-A | 1, 1 ， -nitrile substituted nucleoside derivatives and uses thereof | 刘莹 | 2023-05-30 | — | — | CN | disclosed |
| EP-3407716-B9 | MOLECULES HAVING PESTICIDAL UTILITY, AND INTERMEDIATES, COMPOSITIONS, AND PROCESSES, RELATED THERETO | CORTEVA AGRISCIENCE LLC (US) | 2021-07-14 | — | — | EP | disclosed |
| EP-3407716-B1 | MOLECULES HAVING PESTICIDAL UTILITY, AND INTERMEDIATES, COMPOSITIONS, AND PROCESSES, RELATED THERETO | DOW AGROSCIENCES LLC (US) | 2021-02-17 | — | — | EP | disclosed |
| WO-2017132015-A1 | MOLECULES HAVING PESTICIDAL UTILITY, AND INTERMEDIATES, COMPOSITIONS, AND PROCESSES, RELATED THERETO | DOW AGROSCIENCES LLC (US) | 2017-08-03 | — | — | WO | disclosed |