⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1680362 | 0.67 | — | — | |
| SCHEMBL10817609 | 0.64 | — | — | |
| SCHEMBL11820116 | 0.61 | — | — | |
| SCHEMBL19331986 | 0.58 | — | — | |
| SCHEMBL2241560 | 0.58 | — | — | |
| SCHEMBL2241562 | 0.58 | — | — | |
| SCHEMBL882256 | 0.58 | — | — | |
| Butadiene SCHEMBL3861043 | 0.58 | — | — | |
| Butadiene SCHEMBL15967960 | 0.58 | — | — | |
| Propene SCHEMBL7763849 | 0.55 | — | — |
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-1165557-B1 | ARYL AND HETEROARYL FUSED AMINOALKYL-IMIDAZOLE DERIVATIVES: SELECTIVE MODULATORS OF GABAa RECEPTORS | NEUROGEN CORP (US) | 2004-09-29 | — | — | EP | claimed |