⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5951590 | 0.76 | — | — | |
| SCHEMBL5952383 | 0.67 | — | — | |
| SCHEMBL5952369 | 0.67 | — | — | |
| SCHEMBL5951519 | 0.66 | — | — | |
| SCHEMBL5951714 | 0.65 | PDE5A (0.31) | — | |
| SCHEMBL5952859 | 0.62 | — | — | |
| SCHEMBL5951583 | 0.62 | — | — | |
| SCHEMBL5952679 | 0.62 | CYSLTR2 (0.30) | — | |
| SCHEMBL7110028 | 0.59 | GABRA1 (0.33) | — | |
| SCHEMBL9419329 | 0.58 | PDE5A (0.38) | — |
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-0968158-A1 | METHOD OF PREPARING SUBSTITUTED INDANONES, THE SUBSTITUTED INDANONES AND METALLOCENES PREPARED THEREFROM | Basell Polyolefine GmbH (DE) | 2000-01-05 | — | — | EP | disclosed |
| WO-1998040331-A1 | PREPARATION OF PREPARING SUBSTITUTED INDANONES | TARGOR GMBH (DE) | 1998-09-17 | — | — | WO | disclosed |