⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7822387 | 0.61 | — | — | |
| SCHEMBL670160 | 0.60 | — | — | |
| Hydrochloric Acid SCHEMBL28169352 | 0.58 | — | — | |
| SCHEMBL8586768 | 0.58 | — | — | |
| SCHEMBL18584269 | 0.57 | — | — | |
| SCHEMBL10071785 | 0.56 | POLB (0.33) | — | |
| SCHEMBL30463057 | 0.53 | — | — | |
| SCHEMBL18513472 | 0.52 | — | — | |
| SCHEMBL25310378 | 0.50 | — | — | |
| SCHEMBL813450 | 0.45 | PARP1 (0.53) | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1325006-A2 | HETEROCYCLIC COMPOUNDS AS LIGANDS OF THE GABA A? RECEPTOR | NEUROGEN CORPORATION (US) | 2003-07-09 | — | — | EP | claimed |
| WO-2002012442-A2 | HETEROCYCLIC COMPOUNDS AS LIGANDS OF THE GABAA RECEPTOR | NEUROGEN CORPORATION (US) | 2002-02-14 | — | — | WO | claimed |