⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL22859544 | 0.82 | — | — | |
| SCHEMBL23940739 | 0.77 | — | — | |
| SCHEMBL29662729 | 0.76 | — | — | |
| SCHEMBL14614355 | 0.75 | TSHR (0.32) | — | |
| SCHEMBL24230295 | 0.73 | USP2 (0.32) | — | |
| SCHEMBL17162698 | 0.71 | — | — | |
| SCHEMBL23499339 | 0.71 | KDM4E (0.31) | — | |
| SCHEMBL1353822 | 0.69 | — | — | |
| SCHEMBL17468198 | 0.67 | — | — | |
| SCHEMBL18232561 | 0.67 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2012000608-A2 | NOVEL BETA-AMINOALDEHYDE DERIVATIVES, PROCESS FOR THEIR PREPARATION AND THEIR CHEMICAL USE AS REACTIVE INTERMEDIATES | GLUESENKAMP KARL-HEINZ (DE) | 2012-01-05 | — | — | WO | disclosed |