⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1699822 | 0.84 | CA1 (0.30) | — | |
| SCHEMBL2801157 | 0.77 | HRH3 (0.30) | — | |
| SCHEMBL735350 | 0.75 | DNM1 (0.36) | — | |
| SCHEMBL4270434 | 0.75 | KDM5A (0.32) | — | |
| SCHEMBL2799883 | 0.73 | MEN1 (0.31) | — | |
| SCHEMBL4262043 | 0.73 | — | — | |
| Butane SCHEMBL27797792 | 0.73 | — | — | |
| SCHEMBL28028831 | 0.72 | — | — | |
| SCHEMBL35885 | 0.72 | — | — | |
| SCHEMBL2127597 | 0.72 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-106861603-B | The targeting anchoring agent and its preparation method and application of sulfide in a kind of oil product | 中国石油大学(北京) | 2019-07-26 | — | — | CN | claimed |
| CN-106861603-B | The targeting anchoring agent and its preparation method and application of sulfide in a kind of oil product | 中国石油大学(北京) | 2019-07-26 | — | — | CN | disclosed |
| CN-109994735-A | The polymer adhesive of a kind of silicone-containing group and its application and the secondary cell based on it | 西安交通大学 | 2019-07-09 | — | — | CN | disclosed |