⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5755726 | 0.85 | — | — | |
| SCHEMBL23531049 | 0.71 | — | — | |
| SCHEMBL27648538 | 0.70 | — | — | |
| SCHEMBL27680982 | 0.69 | — | — | |
| SCHEMBL27999642 | 0.66 | — | — | |
| SCHEMBL645273 | 0.66 | — | — | |
| SCHEMBL2308470 | 0.63 | SLC1A2 (0.34) | — | |
| SCHEMBL3919444 | 0.62 | ALDH1A1 (0.33) | — | |
| SCHEMBL9160044 | 0.61 | — | — | |
| SCHEMBL12500003 | 0.60 | POLB (0.31) | — |
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-0725775-A1 | CERTAIN FUSED PYRROLECARBOXANILIDES; A NEW CLASS OF GABA BRAIN RECEPTOR LIGANDS | NEUROGEN CORPORATION (US) | 1996-08-14 | — | — | EP | disclosed |
| WO-1995011885-A1 | CERTAIN FUSED PYRROLECARBOXANILIDES; A NEW CLASS OF GABA BRAIN RECEPTOR LIGANDS | NEUROGEN CORPORATION (US) | 1995-05-04 | — | — | WO | disclosed |