⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3406783 | 0.60 | BAZ2B (0.32) | — | |
| SCHEMBL4685169 | 0.60 | — | — | |
| Hydrochloric Acid SCHEMBL7212556 | 0.60 | — | — | |
| SCHEMBL11494889 | 0.59 | — | — | |
| SCHEMBL3744556 | 0.58 | IDO1 (0.50) | — | |
| SCHEMBL17350606 | 0.57 | — | — | |
| SCHEMBL7068040 | 0.57 | — | — | |
| SCHEMBL16973740 | 0.55 | SIRT6 (0.32) | — | |
| SCHEMBL10355893 | 0.53 | — | — | |
| SCHEMBL13982491 | 0.51 | — | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2247603-B1 | PESTICIDAL COMPOSITIONS | DOW AGROSCIENCES LLC (US) | 2016-09-28 | — | — | EP | disclosed |
| US-9006468-B2 | Pesticidal compositions | DOW AGROSCIENCES, LLC. (US) | 2015-04-14 | — | — | US | disclosed |
| US-20120122805-A1 | PESTICIDAL COMPOSITIONS | DOW AGROSCIENCES LLC (US) | 2012-05-17 | — | — | US | disclosed |