⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL19242078 | 0.93 | TSPO (0.33) | — | |
| SCHEMBL20729447 | 0.91 | TSPO (0.32) | — | |
| SCHEMBL19139830 | 0.90 | TSPO (0.32) | — | |
| SCHEMBL14051320 | 0.90 | KDM4E (0.32) | — | |
| SCHEMBL20198001 | 0.90 | — | — | |
| SCHEMBL25531552 | 0.88 | — | — | |
| SCHEMBL20881601 | 0.88 | TSPO (0.30) | — | |
| SCHEMBL12325575 | 0.87 | — | — | |
| SCHEMBL22708639 | 0.86 | — | — | |
| SCHEMBL16864256 | 0.85 | TSPO (0.30) | — |
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-20230225196-A1 | MATERIALS FOR ELECTRONIC DEVICES | MERCK PATENT GMBH (DE) | 2023-07-13 | — | — | US | disclosed |