⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL23929296 | 0.83 | HSD17B10 (0.32) | — | |
| SCHEMBL260343 | 0.71 | CA1 (0.33) | — | |
| SCHEMBL20513094 | 0.70 | — | — | |
| SCHEMBL2379484 | 0.70 | HSD17B10 (0.34) | — | |
| SCHEMBL20513317 | 0.69 | — | — | |
| SCHEMBL20513448 | 0.67 | — | — | |
| Trolamine SCHEMBL11530202 | 0.67 | CYP1A2 (0.31) | — | |
| SCHEMBL6330177 | 0.67 | — | — | |
| SCHEMBL2789915 | 0.67 | TSHR (0.42) | — | |
| SCHEMBL20513777 | 0.66 | HSD17B10 (0.31) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-8182868-B2 | Encapsulation of particulate contamination | MAXTOR CORPORATION (US) | 2012-05-22 | — | — | US | disclosed |
| US-20100178422-A1 | ENCAPSULATION OF PARTICULATE CONTAMINATION | MAXTOR CORPORATION (US) | 2010-07-15 | — | — | US | disclosed |