⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL161023 | 0.65 | KDM4E (0.32) | — | |
| SCHEMBL207512 | 0.65 | CYP2A6 (0.35) | — | |
| SCHEMBL206337 | 0.65 | CYP2A6 (0.35) | — | |
| SCHEMBL4083705 | 0.63 | ALDH1A1 (0.34) | — | |
| SCHEMBL5536785 | 0.62 | PSMB8 (0.38) | — | |
| SCHEMBL9624198 | 0.61 | ALDH1A1 (0.35) | — | |
| SCHEMBL2004846 | 0.61 | — | — | |
| SCHEMBL207919 | 0.61 | CYP2A6 (0.33) | — | |
| SCHEMBL210265 | 0.61 | MAPT (0.33) | — | |
| SCHEMBL23182 | 0.59 | — | — |
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-118108767-A | Synthesis method of bis (3-benzothienyl) phosphorus chloride | 浙江九洲药业股份有限公司 | 2024-05-31 | — | — | CN | disclosed |
| CN-117777172-A | Benzo five-membered ring boric acid ester-3-carboxylic acid compound and application thereof | 四川大学 | 2024-03-29 | — | — | CN | disclosed |