⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL30952640 | 0.74 | — | — | |
| SCHEMBL6204608 | 0.67 | — | — | |
| SCHEMBL11599245 | 0.63 | ALDH1A1 (0.30) | — | |
| SCHEMBL16937205 | 0.58 | — | — | |
| SCHEMBL1707628 | 0.58 | BACE1 (0.32) | — | |
| SCHEMBL18342516 | 0.56 | ALDH1A1 (0.32) | — | |
| SCHEMBL8661176 | 0.51 | — | — | |
| Benzoquinone SCHEMBL11031539 | 0.50 | ALDH1A1 (0.80) | — | |
| SCHEMBL434409 | 0.49 | ALDH1A1 (0.41) | — | |
| Benzoquinone SCHEMBL5308519 | 0.48 | ALDH1A1 (1.00) | — |
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-118772223-A | Compositions and methods for treating central nervous system disorders | 萨奇治疗股份有限公司 | 2024-10-15 | — | — | CN | disclosed |
| CN-111741965-B | Compositions and methods for treating central nervous system disorders | 萨奇治疗股份有限公司 | 2024-06-25 | — | — | CN | disclosed |