⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL20582013 | 0.78 | SMN1; SMN2 (0.94) | — | |
| SCHEMBL30075317 | 0.78 | SMN1; SMN2 (0.94) | — | |
| SCHEMBL804333 | 0.78 | SMN1; SMN2 (0.94) | — | |
| SCHEMBL22001696 | 0.78 | SMN1; SMN2 (0.94) | — | |
| SCHEMBL9301611 | 0.78 | SMN1; SMN2 (0.94) | — | |
| SCHEMBL23621134 | 0.78 | SMN1; SMN2 (0.94) | — | |
| SCHEMBL14751600 | 0.76 | — | — | |
| SCHEMBL432483 | 0.75 | — | — | |
| SCHEMBL35509 | 0.75 | — | — | |
| SCHEMBL374192 | 0.75 | — | — |
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-7767811-B2 | Kinetic resolutions of chiral 2- and 3-substituted carboxylic acids | BRANDEIS UNIVERSITY (US) | 2010-08-03 | — | — | US | disclosed |