⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL423381 | 1.00 | — | — | |
| SCHEMBL423383 | 1.00 | — | — | |
| SCHEMBL10189805 | 0.93 | — | — | |
| SCHEMBL425512 | 0.93 | — | — | |
| SCHEMBL425511 | 0.93 | — | — | |
| SCHEMBL10153687 | 0.91 | — | — | |
| SCHEMBL419990 | 0.87 | TAS1R3 (0.50) | — | |
| SCHEMBL419991 | 0.87 | TAS1R3 (0.50) | — | |
| SCHEMBL419992 | 0.87 | TAS1R3 (0.50) | — | |
| SCHEMBL424409 | 0.87 | TAS1R3 (0.63) | — |
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 15 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-102482203-B | Carbocyclic GLYT1 receptor antagonists | HOFFMANN LA ROCHE | 2015-06-03 | — | — | CN | claimed |
| 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 | claimed |
| EP-2470498-A1 | CARBOCYCLIC GLYT1 RECEPTOR ANTAGONISTS | F. Hoffmann-La Roche AG (CH) | 2012-07-04 | — | — | EP | claimed |
| US-20120022042-A1 | CARBOCYCLIC GLYT1 RECEPTOR ANTAGONISTS | KOLCZEWSKI SABINE (DE) | 2012-01-26 | — | — | US | claimed |
| US-20110053904-A1 | CARBOCYCLIC GLYT1 RECEPTOR ANTAGONISTS | F. HOFFMANN-LA ROCHE AG (CH) | 2011-03-03 | — | — | US | claimed |
| WO-2011023667-A1 | CARBOCYCLIC GLYT1 RECEPTOR ANTAGONISTS | F. HOFFMANN-LA ROCHE AG (CH) | 2011-03-03 | — | — | WO | claimed |
| CN-102482203-B | Carbocyclic GLYT1 receptor antagonists | HOFFMANN LA ROCHE | 2015-06-03 | — | — | CN | disclosed |
| EP-2470498-B1 | CARBOCYCLIC GLYT1 RECEPTOR ANTAGONISTS | HOFFMANN LA ROCHE (CH) | 2015-02-11 | — | — | EP | disclosed |
| US-8404673-B2 | Carbocyclic GlyT1 receptor antagonists | HOFFMANN-LA ROCHE INC. (US) | 2013-03-26 | — | — | US | disclosed |
| EP-2470498-A1 | CARBOCYCLIC GLYT1 RECEPTOR ANTAGONISTS | F. Hoffmann-La Roche AG (CH) | 2012-07-04 | — | — | EP | 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 |
| WO-2011023667-A1 | CARBOCYCLIC GLYT1 RECEPTOR ANTAGONISTS | F. HOFFMANN-LA ROCHE AG (CH) | 2011-03-03 | — | — | WO | disclosed |