⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL28060271 | 0.74 | — | — | |
| SCHEMBL28318367 | 0.74 | — | — | |
| SCHEMBL22186817 | 0.71 | — | — | |
| SCHEMBL22175633 | 0.71 | HEXA (0.33) | — | |
| SCHEMBL27798777 | 0.67 | SLC6A3 (0.32) | — | |
| SCHEMBL27823990 | 0.65 | — | — | |
| SCHEMBL28813259 | 0.64 | L3MBTL1 (0.40) | — | |
| SCHEMBL28800436 | 0.63 | — | — | |
| SCHEMBL14214646 | 0.61 | — | — | |
| SCHEMBL27538942 | 0.61 | — | — |
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-108929336-A | Thiazolopyrimidinone class as the active regulator of nmda receptor | 豪夫迈·罗氏有限公司 | 2018-12-04 | — | — | CN | disclosed |
| CN-105612162-A | Thiazolopyrimidinones as modulators of NMDA receptor activity | HOFFMANN LA ROCHE | 2016-05-25 | — | — | CN | disclosed |