⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL19028324 | 0.74 | — | — | |
| SCHEMBL12500003 | 0.73 | POLB (0.31) | — | |
| SCHEMBL15905284 | 0.66 | — | — | |
| SCHEMBL12499911 | 0.66 | GRM4 (0.31) | — | |
| SCHEMBL28251158 | 0.62 | — | — | |
| SCHEMBL3813725 | 0.62 | — | — | |
| SCHEMBL11579330 | 0.60 | POLB (0.36) | — | |
| SCHEMBL156544 | 0.60 | POLB (0.36) | — | |
| SCHEMBL2456734 | 0.59 | — | — | |
| SCHEMBL4959416 | 0.58 | TSHR (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 6 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 | claimed |
| WO-2002020492-A1 | ARYL SUBSTITUTED TETRAHYDROINDAZOLES AND THEIR USE AS LIGANDS FOR THE GABA-A RECEPTOR | NEUROGEN CORPORATION (US) | 2002-03-14 | — | — | WO | claimed |
| EP-1326831-A1 | SUBSTITUTED FUSED PYRROLEIMINES AND PYRAZOLEIMINES | NEUROGEN CORPORATION (US) | 2003-07-16 | — | — | EP | disclosed |
| 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 |
| WO-2002020480-A1 | SUBSTITUTED FUSED PYRROLEIMINES AND PYRAZOLEIMINES | NEUROGEN CORPORATION (US) | 2002-03-14 | — | — | WO | disclosed |