⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2780997 | 0.77 | TSHR (0.53) | — | |
| SCHEMBL2780998 | 0.77 | TSHR (0.53) | — | |
| SCHEMBL1225122 | 0.77 | TSHR (0.53) | — | |
| SCHEMBL6916368 | 0.74 | — | — | |
| Maleylacetoacetate SCHEMBL187863 | 0.70 | TSHR (0.45) | — | |
| Maleylacetoacetate SCHEMBL187565 | 0.70 | TSHR (0.45) | — | |
| SCHEMBL9644739 | 0.70 | LDHA (0.38) | — | |
| Maleylacetoacetate SCHEMBL380205 | 0.70 | TSHR (0.45) | — | |
| SCHEMBL828197 | 0.69 | — | — | |
| SCHEMBL28710369 | 0.69 | CNR2 (0.38) | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2010088408-A2 | SUBUNIT SELECTIVE NMDA RECEPTOR ANTAGONISTS FOR THE TREATMENT OF NEUROLOGICAL CONDITIONS | EMORY UNIVERSITY (US) | 2010-08-05 | — | — | WO | disclosed |