⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL21721874 | 0.88 | — | — | |
| SCHEMBL23966490 | 0.87 | — | — | |
| SCHEMBL25506334 | 0.87 | — | — | |
| SCHEMBL19236218 | 0.87 | PTGES2 (0.32) | — | |
| SCHEMBL12759727 | 0.85 | WEE1 (0.30) | — | |
| SCHEMBL24041878 | 0.84 | — | — | |
| SCHEMBL841591 | 0.83 | PGR (0.33) | — | |
| SCHEMBL19558400 | 0.79 | — | — | |
| SCHEMBL21238862 | 0.77 | — | — | |
| SCHEMBL20173573 | 0.75 | PTGES2 (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 |
|---|---|---|---|---|---|---|---|
| US-20230210004-A1 | MATERIALS FOR ELECTRONIC DEVICES | MERCK PATENT GMBH (DE) | 2023-06-29 | — | — | US | disclosed |