⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL10070167 | 0.78 | — | — | |
| SCHEMBL5682325 | 0.77 | ALDH1A1 (0.33) | — | |
| SCHEMBL11575149 | 0.75 | — | — | |
| SCHEMBL342458 | 0.75 | — | — | |
| SCHEMBL2009418 | 0.72 | — | — | |
| SCHEMBL10350976 | 0.71 | MAPK1 (0.33) | — | |
| SCHEMBL28903604 | 0.70 | TDP1 (0.31) | — | |
| SCHEMBL9508196 | 0.70 | — | — | |
| SCHEMBL5137670 | 0.69 | TSHR (0.36) | — | |
| SCHEMBL11652886 | 0.69 | FDPS (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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20100113791-A1 | PREPARATION OF PRECURSORS OF CARBENES OF CAAC TYPE AND PREPARING SAID CARBENES THEREFROM | RHODIA OPERATIONS (FR) | 2010-05-06 | — | — | US | disclosed |