⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL14012140 | 0.80 | — | — | |
| SCHEMBL14037751 | 0.74 | PDE1A (0.33) | — | |
| SCHEMBL14012128 | 0.69 | SMN1; SMN2 (0.37) | — | |
| SCHEMBL22494145 | 0.69 | TSHR (0.31) | — | |
| SCHEMBL27703020 | 0.69 | ALDH1A1 (0.39) | — | |
| SCHEMBL889016 | 0.69 | — | — | |
| SCHEMBL4037870 | 0.68 | — | — | |
| SCHEMBL15304172 | 0.67 | — | — | |
| SCHEMBL13361823 | 0.67 | — | — | |
| SCHEMBL12656813 | 0.66 | ALDH1A1 (0.41) | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2008140781-A1 | SPIRO COMPOUNDS FOR TREATMENT OF INFLAMMATORY DISORDERS | ATHEROGENICS, INC. (US) | 2008-11-20 | — | — | WO | disclosed |
| US-20080280974-A1 | Spiro compounds for treatment of inflammatory disorders | CRABTREE ACQUISITION CO, LLC | 2008-11-13 | — | — | US | disclosed |