⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL13623423 | 0.83 | — | — | |
| SCHEMBL12703694 | 0.83 | PGR (0.36) | — | |
| SCHEMBL13508993 | 0.83 | — | — | |
| SCHEMBL22293402 | 0.82 | — | — | |
| SCHEMBL15290143 | 0.79 | HSD17B1 (0.33) | — | |
| SCHEMBL12703208 | 0.78 | PGR (0.36) | — | |
| SCHEMBL12703336 | 0.78 | PGR (0.32) | — | |
| SCHEMBL12703678 | 0.78 | CNR2 (0.32) | — | |
| SCHEMBL12703418 | 0.77 | PGR (0.32) | — | |
| SCHEMBL12703412 | 0.77 | PGR (0.32) | — |
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-2009141026-A1 | COMPOUNDS FOR ELECTRONIC DEVICES | MERCK PATENT GMBH, (DE) | 2009-11-26 | — | — | WO | disclosed |