⚠ 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 SCHEMBL4126056 | 0.88 | OPRM1 (0.31) | — | |
| Ammonia Solution, Strong SCHEMBL537607 | 0.86 | LMNA (0.41) | — | |
| Ammonia Solution, Strong SCHEMBL2260150 | 0.86 | LMNA (0.41) | — | |
| Ammonia Solution, Strong SCHEMBL1123457 | 0.86 | LMNA (0.41) | — | |
| Ammonia Solution, Strong SCHEMBL213749 | 0.86 | LMNA (0.41) | — | |
| Ammonia Solution, Strong SCHEMBL1334487 | 0.86 | LMNA (0.41) | — | |
| Ammonia Solution, Strong SCHEMBL1123210 | 0.86 | LMNA (0.41) | — | |
| Ammonia Solution, Strong SCHEMBL1133459 | 0.86 | LMNA (0.41) | — | |
| Ammonia Solution, Strong SCHEMBL1333866 | 0.86 | LMNA (0.41) | — | |
| Ammonia Solution, Strong SCHEMBL9196473 | 0.85 | LMNA (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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2008004243-A2 | IONIC ORGANOSILICON COMPOUNDS AND COMPOSITIONS THEREOF | RANKA, SEEMA, AJAY (IN) | 2008-01-10 | — | — | WO | claimed |