⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3793504 | 0.73 | — | — | |
| SCHEMBL5572187 | 0.65 | — | — | |
| SCHEMBL5572189 | 0.65 | — | — | |
| SCHEMBL759355 | 0.63 | — | — | |
| SCHEMBL6803807 | 0.63 | — | — | |
| SCHEMBL6803811 | 0.63 | — | — | |
| SCHEMBL6599338 | 0.59 | CA4 (0.35) | — | |
| SCHEMBL6599340 | 0.59 | CA4 (0.35) | — | |
| SCHEMBL7159300 | 0.58 | — | — | |
| SCHEMBL7209600 | 0.58 | — | — |
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-109694307-A | A kind of preparation method of bis- chloro-2-methyl 2,4- pentadiene of 5,5- | 沈阳中化农药化工研发有限公司 | 2019-04-30 | — | — | CN | disclosed |