⚠ 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 | |
|---|---|---|---|---|
| Pyrrolidine SCHEMBL28998687 | 0.84 | PDE10A (0.30) | — | |
| SCHEMBL29274356 | 0.74 | MEN1 (0.40) | — | |
| SCHEMBL10816950 | 0.71 | MEN1 (0.40) | — | |
| SCHEMBL24067526 | 0.64 | SLC18A3 (0.42) | — | |
| SCHEMBL20632498 | 0.57 | — | — | |
| SCHEMBL15747950 | 0.51 | MEN1 (0.46) | — | |
| Pyrrolidine SCHEMBL28303598 | 0.50 | — | — | |
| SCHEMBL6396181 | 0.50 | CHRM3 (0.43) | — | |
| Pyrrolidine SCHEMBL11288790 | 0.50 | — | — | |
| Pyrrolidine SCHEMBL7827746 | 0.50 | ALDH1A1 (0.89) | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-117088824-A | Preparation method of alpha-1, 3, 5-triazine thioketone compound | 浙江工业大学 | 2023-11-21 | — | — | CN | disclosed |