⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL29402470 | 1.00 | — | — | |
| SCHEMBL23056 | 1.00 | — | — | |
| Chloroform SCHEMBL10009248 | 0.94 | — | — | |
| SCHEMBL949865 | 0.94 | — | — | |
| Water SCHEMBL7874189 | 0.94 | — | — | |
| SCHEMBL31347820 | 0.94 | — | — | |
| Ammonia Solution, Strong SCHEMBL584485 | 0.94 | — | — | |
| SCHEMBL28435893 | 0.94 | — | — | |
| Methylamine SCHEMBL6881996 | 0.89 | — | — | |
| Dimethylamine SCHEMBL2552757 | 0.85 | — | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-103497114-A | NMDA receptor antagonists for neuroprotection | UNIV EMORY | 2014-01-08 | — | — | CN | disclosed |
| CN-103058957-A | NMDA receptor antagonists for neuroprotection | UNIV EMORY | 2013-04-24 | — | — | CN | disclosed |
| US-4996158-A | Optical resolution of racemic alcohols | LION CORPORATION, 3-7, HONJO 1-CHOME, SUMIDA-KU, TOKYO, JAPAN | 1991-02-26 | — | — | US | disclosed |