⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL25328666 | 0.77 | — | — | |
| SCHEMBL25916483 | 0.74 | NOS1 (0.46) | — | |
| SCHEMBL25916625 | 0.72 | NOS1 (0.45) | — | |
| SCHEMBL11999656 | 0.72 | NOS1 (0.45) | — | |
| SCHEMBL1417449 | 0.71 | NOS1 (0.43) | — | |
| SCHEMBL14283763 | 0.70 | NOS1 (0.42) | — | |
| SCHEMBL25916370 | 0.69 | NOS1 (0.41) | — | |
| SCHEMBL10916582 | 0.69 | — | — | |
| SCHEMBL750253 | 0.67 | GAA (0.54) | — | |
| SCHEMBL27784109 | 0.67 | ALDH1A1 (0.41) | — |
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-105612162-B | Thiazolopyrimidinones as modulators of NMDA receptor activity | 豪夫迈·罗氏有限公司 | 2018-08-21 | — | — | CN | disclosed |