⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1372796 | 1.00 | — | — | |
| SCHEMBL1374483 | 1.00 | — | — | |
| SCHEMBL745665 | 1.00 | — | — | |
| Hydrochloric Acid SCHEMBL3992747 | 0.98 | — | — | |
| SCHEMBL31353035 | 0.98 | — | — | |
| Hydrochloric Acid SCHEMBL12469432 | 0.98 | — | — | |
| SCHEMBL546913 | 0.93 | — | — | |
| SCHEMBL4492294 | 0.93 | — | — | |
| SCHEMBL18474377 | 0.93 | — | — | |
| Sulfuric Acid SCHEMBL28773568 | 0.91 | NOS2 (0.52) | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-110072842-A | Molecules having pesticidal utility, and intermediates, compositions and methods related thereto | 美国陶氏益农公司 | 2019-07-30 | — | — | CN | disclosed |