⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL574821 | 0.96 | CA1 (0.45) | — | |
| SCHEMBL3705478 | 0.96 | — | — | |
| SCHEMBL29060 | 0.96 | — | — | |
| Ammonia Solution, Strong SCHEMBL28271736 | 0.93 | — | — | |
| Cyclopropane SCHEMBL16197594 | 0.93 | CA1 (0.43) | — | |
| Ethylene SCHEMBL28285355 | 0.90 | — | — | |
| SCHEMBL64894 | 0.89 | — | — | |
| SCHEMBL2032674 | 0.89 | CA1 (0.53) | — | |
| Fluoride SCHEMBL29068327 | 0.89 | — | — | |
| SCHEMBL5791719 | 0.89 | CA1 (0.53) | — |
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-1901667-A1 | SYSTEM AND DEVICES FOR THE REPAIR OF A VERTEBRAL DISC DEFECT | KENSEY NASH CORPORATION (US) | 2008-03-26 | — | — | EP | disclosed |
| WO-2006121474-A1 | SYSTEM AND DEVICES FOR THE REPAIR OF A VERTEBRAL DISC DEFECT | KENSEY NASH CORPORATION (US) | 2006-11-16 | — | — | WO | disclosed |