⚠ 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 SCHEMBL1289334 | 1.00 | — | — | |
| Ammonia Solution, Strong SCHEMBL1615433 | 0.95 | CA2 (0.42) | — | |
| SCHEMBL2978527 | 0.95 | CA2 (0.42) | — | |
| SCHEMBL2978525 | 0.95 | — | — | |
| SCHEMBL5234396 | 0.95 | — | — | |
| Ammonia Solution, Strong SCHEMBL4463637 | 0.95 | CA2 (0.42) | — | |
| Ammonia Solution, Strong SCHEMBL77058 | 0.95 | — | — | |
| Ammonia Solution, Strong SCHEMBL77057 | 0.95 | — | — | |
| Ammonia Solution, Strong SCHEMBL4366322 | 0.95 | CA2 (0.42) | — | |
| SCHEMBL11505284 | 0.90 | — | — |
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-2012047781-A1 | MULTI-PURPOSED DENTIFRICE | CHURCH & DWIGHT CO., INC. (US) | 2012-04-12 | — | — | WO | disclosed |