⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL14316959 | 0.67 | KDM4E (0.36) | — | |
| SCHEMBL14316962 | 0.67 | CYP19A1 (0.30) | — | |
| SCHEMBL121208 | 0.67 | — | — | |
| SCHEMBL16691533 | 0.67 | — | — | |
| SCHEMBL8846091 | 0.64 | — | — | |
| SCHEMBL29094322 | 0.64 | SMN1; SMN2 (0.32) | — | |
| SCHEMBL20998608 | 0.63 | SMN1; SMN2 (0.33) | — | |
| SCHEMBL12970866 | 0.62 | CRBN (0.30) | — | |
| SCHEMBL23566047 | 0.61 | MAPT (0.31) | — | |
| SCHEMBL14867116 | 0.61 | MAPT (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-20090270360-A1 | DICARBOXAMIDE DERIVATIVES | BOEHRINGER MARKUS | 2009-10-29 | — | — | US | disclosed |
| US-7501413-B2 | Dicarboxamide derivatives | HOFFMANN-LA ROCHE INC. (US) | 2009-03-10 | — | — | US | disclosed |