⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL15799464 | 0.71 | — | — | |
| SCHEMBL29324704 | 0.69 | — | — | |
| SCHEMBL93809 | 0.69 | — | — | |
| Acrylamide SCHEMBL28134836 | 0.69 | ALDH1A1 (0.65) | — | |
| SCHEMBL21077634 | 0.69 | — | — | |
| SCHEMBL24222560 | 0.69 | — | — | |
| SCHEMBL11342994 | 0.68 | SPHK2 (0.50) | — | |
| Propionamide SCHEMBL4543816 | 0.67 | ALDH1A1 (0.61) | — | |
| Acrylamide SCHEMBL11529233 | 0.67 | ALDH1A1 (0.61) | — | |
| Acrylic Acid SCHEMBL9839250 | 0.67 | LMNA (0.56) | — |
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-1056724-B1 | SUBSTITUTED CYCLOALKYL-4-OXONICOTINIC CARBOXAMIDES; GABA BRAIN RECEPTOR LIGANDS | NEUROGEN CORP (US) | 2005-05-25 | — | — | EP | disclosed |
| US-6448259-B1 | CYCLOALKYL-4-OXONICOTINIC CARBOXAMIDES; AGONISTS, ANTAGONISTS OR INVERSE AGONISTS FOR GAMMA AMINOBUTYRIC ACID BINDING SITE, THE BENZODIAZEPINE RECEPTOR; ANXIETY, SLEEP AND SEIZURE DISORDERS SEDATIVE, ANXIOLYTIC AND ANTICONVULSANT ACTIVITY | NEUROGEN CORPORATION | 2002-09-10 | — | — | US | disclosed |
| US-6194427-B1 | BRAIN DISORDERS; PSYCHOLOGICAL DISORDERS; SLEEP DISORDERS; ANTICONVULSANTS | NEUROGEN CORPORATION | 2001-02-27 | — | — | US | disclosed |
| EP-1056724-A2 | SUBSTITUTED CYCLOALKYL-4-OXONICOTINIC CARBOXAMIDES; GABA BRAIN RECEPTOR LIGANDS | NEUROGEN CORPORATION (US) | 2000-12-06 | — | — | EP | disclosed |
| WO-1999043661-A2 | SUBSTITUTED CYCLOALKYL-4-OXONICOTINIC CARBOXAMIDES; GABA BRAIN RECEPTOR LIGANDS | NEUROGEN CORPORATION (US) | 1999-09-02 | — | — | WO | disclosed |