⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3459 | 0.97 | — | — | |
| SCHEMBL8796316 | 0.94 | — | — | |
| SCHEMBL27415988 | 0.89 | ALDH1A1 (0.30) | — | |
| Magnesium Chloride Anhydrous SCHEMBL28054033 | 0.87 | — | — | |
| SCHEMBL3860691 | 0.71 | — | — | |
| SCHEMBL2922010 | 0.67 | — | — | |
| SCHEMBL8961761 | 0.65 | MAPT (0.31) | — | |
| SCHEMBL115447 | 0.65 | CYP3A4 (0.33) | — | |
| SCHEMBL3895871 | 0.65 | — | — | |
| SCHEMBL28140432 | 0.65 | — | — |
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-118290227-A | Preparation method of 4-bromohexabenzotricyclo [4.4.4.0] tetradecane | 维思普新材料（苏州）有限公司 | 2024-07-05 | — | — | CN | disclosed |
| CN-114890987-B | Thiophenol-thiophene ligand and preparation method thereof, olefin polymerization catalyst and preparation method and application thereof | 万华化学集团股份有限公司 | 2023-12-19 | — | — | CN | disclosed |