⚠ 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 | |
|---|---|---|---|---|
| Ammonia Solution, Strong SCHEMBL3984711 | 0.85 | — | — | |
| Ammonia Solution, Strong SCHEMBL19712410 | 0.79 | — | — | |
| Ammonia Solution, Strong SCHEMBL23781137 | 0.75 | LMNA (0.39) | — | |
| Hydrochloric Acid SCHEMBL4753102 | 0.75 | MEN1 (0.30) | — | |
| Ammonia Solution, Strong SCHEMBL8352036 | 0.73 | OPRM1 (0.37) | — | |
| Ammonia Solution, Strong SCHEMBL27724067 | 0.73 | OPRM1 (0.37) | — | |
| Ammonia Solution, Strong SCHEMBL3982971 | 0.71 | LMNA (0.32) | — | |
| Ammonia Solution, Strong SCHEMBL4751079 | 0.71 | — | — | |
| Ammonia Solution, Strong SCHEMBL4753711 | 0.71 | — | — | |
| Ammonia Solution, Strong SCHEMBL4785759 | 0.70 | OPRM1 (0.37) | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2008149375-A1 | IMPROVED ORGANOSILICON COMPOUNDS | RANKA, SEEMA, AJAY (IN) | 2008-12-11 | — | — | WO | claimed |
| US-20080009644-A1 | Organosilicon Compounds | ZYDEX INDUSTRIES | 2008-01-10 | — | — | US | claimed |