⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL113210 | 0.89 | — | — | |
| SCHEMBL11351535 | 0.89 | MAPK1 (0.60) | — | |
| Water SCHEMBL9429385 | 0.80 | — | — | |
| SCHEMBL1685170 | 0.80 | — | — | |
| Water SCHEMBL11748615 | 0.80 | MAPK1 (0.50) | — | |
| Water SCHEMBL5799361 | 0.80 | — | — | |
| SCHEMBL3195381 | 0.80 | — | — | |
| SCHEMBL9333634 | 0.80 | MAPK1 (0.50) | — | |
| SCHEMBL9722667 | 0.80 | — | — | |
| SCHEMBL6525105 | 0.80 | MAPK1 (0.50) | — |
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-8257748-B2 | Calcium hypochlorite compositions | PPG INDUSTRIES OHIO, INC. (US) | 2012-09-04 | — | — | US | disclosed |
| US-20110052724-A1 | CALCIUM HYPOCHLORITE COMPOSITIONS | PPG INDUSTRIES OHIO, INC. (US) | 2011-03-03 | — | — | US | disclosed |