⚠ 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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL9033761 | 0.98 | NPSR1 (0.30) | — | |
| SCHEMBL10788939 | 0.91 | NPSR1 (0.38) | — | |
| Hydrochloric Acid SCHEMBL2234352 | 0.83 | CYP3A4 (0.33) | — | |
| SCHEMBL6592094 | 0.83 | POLB (0.33) | — | |
| SCHEMBL5771856 | 0.83 | POLB (0.33) | — | |
| SCHEMBL3823014 | 0.82 | EPHX2 (0.33) | — | |
| Hydrochloric Acid SCHEMBL5756872 | 0.82 | POLB (0.32) | — | |
| Hydrochloric Acid SCHEMBL16774908 | 0.80 | — | — | |
| SCHEMBL6684387 | 0.79 | TSHR (0.37) | — | |
| SCHEMBL3824566 | 0.78 | MMP1 (0.32) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-0533832-B1 | TREATMENT OF MOOD DISORDERS WITH FUNCTIONAL ANTAGONISTS OF THE GLYCINE/NMDA RECEPTOR COMPLEX | US SECRETARY UNITED STATES DEP (US) | 2002-11-20 | — | — | EP | claimed |