⚠ 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 | |
|---|---|---|---|---|
| Trimethylammonium SCHEMBL27476273 | 0.86 | MAOA (0.34) | — | |
| SCHEMBL5722550 | 0.65 | — | — | |
| SCHEMBL28341000 | 0.65 | — | — | |
| SCHEMBL28298705 | 0.62 | — | — | |
| Ammonia Solution, Strong SCHEMBL29014480 | 0.62 | — | — | |
| Ammonia Solution, Strong SCHEMBL27712725 | 0.62 | — | — | |
| SCHEMBL27868828 | 0.62 | — | — | |
| SCHEMBL630634 | 0.62 | HDAC6 (0.41) | — | |
| SCHEMBL30659527 | 0.60 | — | — | |
| Hydrochloric Acid SCHEMBL7988951 | 0.60 | HDAC6 (0.40) | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7132556-B2 | Alkaline earth metal complexes and their use | SOLVAY BARIUM STRONTIUM GMBH (DE) | 2006-11-07 | — | — | US | disclosed |
| US-20050170092-A1 | Alkaline earth metal complexes and their use | SOLVAY BARIUM STRONTIUM GMBH (DE) | 2005-08-04 | — | — | US | disclosed |