⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL606458 | 0.78 | — | — | |
| SCHEMBL2550008 | 0.78 | — | — | |
| SCHEMBL3364089 | 0.78 | — | — | |
| Hydrochloric Acid SCHEMBL31599906 | 0.77 | HRH3 (0.39) | — | |
| SCHEMBL9112820 | 0.76 | HRH3 (0.35) | — | |
| SCHEMBL11923025 | 0.75 | KMT2A (0.37) | — | |
| SCHEMBL9112176 | 0.75 | HRH3 (0.37) | — | |
| SCHEMBL27267360 | 0.74 | HRH3 (0.36) | — | |
| Formic Acid SCHEMBL28509174 | 0.74 | CPN1 (0.42) | — | |
| SCHEMBL28842808 | 0.71 | — | — |
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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1718299-A1 | HETEROCYCLIC GABA-A SUBTYPE SELECTIVE RECEPTOR MODULATORS | F.HOFFMANN-LA ROCHE AG (CH) | 2006-11-08 | — | — | EP | disclosed |
| EP-1656353-A1 | GABANERGIC MODULATORS | F. HOFFMANN-LA ROCHE AG (CH) | 2006-05-17 | — | — | EP | disclosed |
| EP-1569911-A1 | INDAZOLE DERIVATIVES AS CRF ANTAGONISTS | F. HOFFMANN-LA ROCHE AG (CH) | 2005-09-07 | — | — | EP | disclosed |
| WO-2005077363-A1 | HETEROCYCLIC GABA-A SUBTYPE SELECTIVE RECEPTOR MODULATORS | F. HOFFMANN-LA ROCHE AG (CH) | 2005-08-25 | — | — | WO | disclosed |
| WO-2005016892-A1 | GABANERGIC MODULATORS | F. HOFFMANN-LA ROCHE AG (CH) | 2005-02-24 | — | — | WO | disclosed |
| EP-1453832-A1 | RING FUSED PYRAZOLE DERIVATIVES | F. Hoffmann-La Roche AG (CH) | 2004-09-08 | — | — | EP | disclosed |
| WO-2004050634-A1 | INDAZOLE DERIVATIVES AS CRF ANTAGONISTS | F. HOFFMANN-LA ROCHE AG (CH) | 2004-06-17 | — | — | WO | disclosed |
| WO-2003048160-A1 | RING FUSED PYRAZOLE DERIVATIVES | F. HOFFMANN-LA ROCHE AG (CH) | 2003-06-12 | — | — | WO | disclosed |