⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3630572 | 0.74 | CYP2D6 (0.32) | — | |
| SCHEMBL13218423 | 0.74 | — | — | |
| SCHEMBL8105786 | 0.71 | — | — | |
| SCHEMBL935346 | 0.69 | — | — | |
| SCHEMBL9776518 | 0.69 | CYP1A2 (0.40) | — | |
| SCHEMBL1525653 | 0.69 | — | — | |
| SCHEMBL3288481 | 0.69 | — | — | |
| SCHEMBL10306555 | 0.69 | — | — | |
| SCHEMBL17662591 | 0.65 | — | — | |
| SCHEMBL936211 | 0.65 | — | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20140220281-A1 | OXYGEN SCAVENGERS | M&G USA CORPORATION (US) | 2014-08-07 | — | — | US | disclosed |
| EP-1871784-A2 | PROTEIN GLYCOSYLATION | ISIS INNOVATION LIMITED (GB) | 2008-01-02 | — | — | EP | disclosed |
| WO-2006106348-A2 | PROTEIN GLYCOSYLATION | ISIS INNOVATION LIMITED (GB) | 2006-10-12 | — | — | WO | disclosed |