⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL13225351 | 1.00 | — | — | |
| SCHEMBL18822213 | 0.82 | KDM1A (0.32) | — | |
| SCHEMBL18822358 | 0.80 | PRKCA (0.31) | — | |
| SCHEMBL29159121 | 0.79 | — | — | |
| SCHEMBL1069856 | 0.79 | — | — | |
| SCHEMBL18822318 | 0.78 | — | — | |
| SCHEMBL6561379 | 0.72 | — | — | |
| SCHEMBL11504897 | 0.70 | LMNA (0.32) | — | |
| SCHEMBL1128608 | 0.68 | — | — | |
| SCHEMBL3504556 | 0.67 | LMNA (0.30) | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7767388-B2 | Method for monitoring the stereoselectivity and relative rate of organic chemical reactions | NUTECH VENTURES (US) | 2010-08-03 | — | — | US | disclosed |