⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL619720 | 0.83 | — | — | |
| SCHEMBL620406 | 0.78 | HSD17B10 (0.38) | — | |
| SCHEMBL8457600 | 0.77 | — | — | |
| SCHEMBL11898035 | 0.73 | — | — | |
| SCHEMBL10341683 | 0.73 | USP2 (0.41) | — | |
| SCHEMBL10746438 | 0.73 | USP2 (0.37) | — | |
| SCHEMBL410213 | 0.73 | — | — | |
| SCHEMBL11898041 | 0.73 | — | — | |
| SCHEMBL35950 | 0.73 | — | — | |
| SCHEMBL2583803 | 0.71 | USP2 (0.45) | — |
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-2009146995-A1 | MONOMER MIXTURES, POLYMERS AND COATING COMPOSITIONS | EVONIK RÖHM GMBH (DE) | 2009-12-10 | — | — | WO | disclosed |