⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL28318367 | 0.78 | — | — | |
| SCHEMBL28060266 | 0.74 | — | — | |
| SCHEMBL27770297 | 0.68 | — | — | |
| SCHEMBL25680663 | 0.67 | — | — | |
| SCHEMBL28060316 | 0.66 | — | — | |
| SCHEMBL4974945 | 0.65 | — | — | |
| SCHEMBL27538942 | 0.64 | — | — | |
| SCHEMBL12873767 | 0.62 | TRIM24 (0.34) | — | |
| SCHEMBL324559 | 0.62 | — | — | |
| SCHEMBL28096449 | 0.62 | — | — |
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-A | Thiazolopyrimidinones as modulators of NMDA receptor activity | HOFFMANN LA ROCHE | 2016-05-25 | — | — | CN | disclosed |