⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7015 | 0.95 | — | — | |
| SCHEMBL22439348 | 0.90 | — | — | |
| SCHEMBL30610242 | 0.90 | — | — | |
| SCHEMBL31543750 | 0.90 | — | — | |
| Ammonia Solution, Strong SCHEMBL28147315 | 0.90 | — | — | |
| SCHEMBL27582052 | 0.90 | — | — | |
| Hydrogen Sulfide SCHEMBL28237231 | 0.76 | ANPEP (0.36) | — | |
| SCHEMBL5894830 | 0.73 | — | — | |
| SCHEMBL9241792 | 0.71 | TSHR (0.35) | — | |
| SCHEMBL4531861 | 0.70 | — | — |
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-6413677-B1 | THIOCARBONATE ELECTROLYTE | UBE INDUSTRIES, LTD. (JP) | 2002-07-02 | — | — | US | disclosed |