⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL28566925 | 0.81 | — | — | |
| SCHEMBL6700938 | 0.78 | TDP1 (0.33) | — | |
| SCHEMBL11342492 | 0.73 | — | — | |
| SCHEMBL4683201 | 0.73 | — | — | |
| SCHEMBL5873475 | 0.71 | — | — | |
| SCHEMBL3711246 | 0.71 | — | — | |
| SCHEMBL11695237 | 0.71 | — | — | |
| SCHEMBL9776432 | 0.71 | — | — | |
| SCHEMBL9971728 | 0.70 | — | — | |
| SCHEMBL88444 | 0.69 | — | — |
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-1315703-A1 | ARYL SUBSTITUTED TETRAHYDROINDAZOLES AND THEIR USE AS LIGANDS FOR THE GABA-A RECEPTOR | NEUROGEN CORPORATION (US) | 2003-06-04 | — | — | EP | disclosed |
| WO-2002020492-A1 | ARYL SUBSTITUTED TETRAHYDROINDAZOLES AND THEIR USE AS LIGANDS FOR THE GABA-A RECEPTOR | NEUROGEN CORPORATION (US) | 2002-03-14 | — | — | WO | disclosed |