⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL421430 | 1.00 | — | — | |
| SCHEMBL1514905 | 0.96 | — | — | |
| SCHEMBL420904 | 0.92 | HCRTR1 (0.52) | — | |
| SCHEMBL420905 | 0.92 | HCRTR1 (0.52) | — | |
| SCHEMBL6889374 | 0.89 | — | — | |
| SCHEMBL2312707 | 0.89 | — | — | |
| SCHEMBL2326847 | 0.89 | — | — | |
| SCHEMBL2312704 | 0.89 | — | — | |
| SCHEMBL421793 | 0.88 | SLC6A9 (0.52) | — | |
| SCHEMBL421792 | 0.88 | SLC6A9 (0.52) | — |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2470498-B1 | CARBOCYCLIC GLYT1 RECEPTOR ANTAGONISTS | HOFFMANN LA ROCHE (CH) | 2015-02-11 | — | — | EP | claimed |
| US-8404673-B2 | Carbocyclic GlyT1 receptor antagonists | HOFFMANN-LA ROCHE INC. (US) | 2013-03-26 | — | — | US | disclosed |
| US-20120022042-A1 | CARBOCYCLIC GLYT1 RECEPTOR ANTAGONISTS | KOLCZEWSKI SABINE (DE) | 2012-01-26 | — | — | US | disclosed |
| US-8080541-B2 | Carbocyclic GlyT-1 receptor antagonists | HOFFMAN-LA ROCHE INC. (US) | 2011-12-20 | — | — | US | disclosed |
| US-20110053904-A1 | CARBOCYCLIC GLYT1 RECEPTOR ANTAGONISTS | F. HOFFMANN-LA ROCHE AG (CH) | 2011-03-03 | — | — | US | disclosed |