⚠ 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 | |
|---|---|---|---|---|
| Methylene Chloride SCHEMBL5375622 | 0.77 | — | — | |
| Methylene Chloride SCHEMBL18604011 | 0.77 | — | — | |
| Methylene Chloride SCHEMBL493 | 0.76 | — | — | |
| Methylene Chloride SCHEMBL18247337 | 0.76 | — | — | |
| Methylene Chloride SCHEMBL1332597 | 0.76 | — | — | |
| Methylene Chloride SCHEMBL1154217 | 0.76 | — | — | |
| Methylene Chloride SCHEMBL8546647 | 0.76 | — | — | |
| Methylene Chloride SCHEMBL7293016 | 0.76 | — | — | |
| Methylene Chloride SCHEMBL1039769 | 0.71 | ALDH1A1 (0.57) | — | |
| Methylene Chloride SCHEMBL992285 | 0.71 | ALDH1A1 (0.57) | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-108440542-B | A kind of preparation method with optical activation for adjoining double loop coil oxidized indole compounds | 遵义医科大学 | 2019-12-03 | — | — | CN | disclosed |
| CN-108690029-B | One kind is with optical activation to adjoin double loop coil oxidized indole compounds and its application | 遵义医科大学 | 2019-12-03 | — | — | CN | disclosed |
| CN-108440542-A | A kind of preparation method with optical activation for adjoining double loop coil oxidized indole compounds | 遵义医学院 | 2018-08-24 | — | — | CN | disclosed |
| CN-105873919-A | Substituted uracils as chymase inhibitors | 拜耳医药股份有限公司 | 2016-08-17 | — | — | CN | disclosed |