⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1536260 | 0.95 | — | — | |
| SCHEMBL2468752 | 0.95 | — | — | |
| SCHEMBL367051 | 0.76 | — | — | |
| SCHEMBL11147713 | 0.76 | TP53 (0.33) | — | |
| SCHEMBL8142860 | 0.76 | TP53 (0.33) | — | |
| SCHEMBL7153465 | 0.76 | — | — | |
| SCHEMBL7522810 | 0.76 | — | — | |
| SCHEMBL3788578 | 0.76 | — | — | |
| SCHEMBL28371790 | 0.76 | — | — | |
| SCHEMBL9117667 | 0.76 | — | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-111116302-B | Synthesis method of halogenated butene | 浙江巨化技术中心有限公司 | 2022-07-01 | — | — | CN | disclosed |
| CN-111116302-A | Synthesis method of halogenated butene | 浙江巨化技术中心有限公司 | 2020-05-08 | — | — | CN | disclosed |