⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5031087 | 0.78 | CA1 (0.33) | — | |
| SCHEMBL3668341 | 0.77 | — | — | |
| SCHEMBL26568342 | 0.77 | — | — | |
| SCHEMBL3668343 | 0.77 | — | — | |
| SCHEMBL17701515 | 0.77 | — | — | |
| SCHEMBL27407126 | 0.71 | — | — | |
| SCHEMBL15131943 | 0.69 | MAPK1 (0.30) | — | |
| SCHEMBL12468650 | 0.69 | MAPK1 (0.30) | — | |
| SCHEMBL12468653 | 0.69 | MAPK1 (0.30) | — | |
| SCHEMBL7555768 | 0.69 | — | — |
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-2009010194-A1 | POLYMER SCAFFOLD MATERIAL FOR CULTIVATING CELLS | Institut für Oberflächenmodifizierung e.V. (DE) | 2009-01-22 | — | — | WO | disclosed |