⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7002280 | 0.80 | GAA (0.34) | — | |
| SCHEMBL7001476 | 0.80 | GAA (0.34) | — | |
| SCHEMBL1760720 | 0.61 | TSHR (0.50) | — | |
| SCHEMBL10969946 | 0.59 | CDC25B (0.40) | — | |
| SCHEMBL28303303 | 0.59 | CDC25B (0.43) | — | |
| SCHEMBL10487287 | 0.58 | DRD2 (0.44) | — | |
| SCHEMBL25202453 | 0.58 | CDC25B (0.48) | — | |
| SCHEMBL30635627 | 0.58 | CDC25B (0.48) | — | |
| SCHEMBL9782638 | 0.56 | CDC25B (0.37) | — | |
| SCHEMBL10163669 | 0.56 | CHRNA7 (0.50) | — |
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-6365736-B1 | TREATMENT OF NERVOUS SYSTEM DISORDERS, CARDIOVASCULAR DISORDERS AND FOR ACTIVITY AS NO-SYNTHASES (NOS) INHIBITORS. | SCHERING AKTIENGESELLSCHAFT (DE) | 2002-04-02 | — | — | US | disclosed |