⚠ 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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL5898868 | 0.70 | — | — | |
| SCHEMBL6914394 | 0.70 | — | — | |
| SCHEMBL8383465 | 0.70 | — | — | |
| SCHEMBL4757254 | 0.69 | — | — | |
| SCHEMBL216231 | 0.69 | — | — | |
| SCHEMBL409596 | 0.69 | — | — | |
| SCHEMBL8162371 | 0.69 | — | — | |
| Hydrochloric Acid SCHEMBL7947950 | 0.69 | — | — | |
| Hydrochloric Acid SCHEMBL6471972 | 0.69 | — | — | |
| SCHEMBL1133086 | 0.69 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-9868719-B2 | Compounds with pesticidal activity | BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) | 2018-01-16 | — | — | US | disclosed |