⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL10000680 | 0.80 | — | — | |
| SCHEMBL4179651 | 0.69 | — | — | |
| SCHEMBL19400406 | 0.66 | — | — | |
| SCHEMBL15362872 | 0.65 | — | — | |
| SCHEMBL19033168 | 0.65 | — | — | |
| SCHEMBL11520504 | 0.61 | — | — | |
| SCHEMBL15362871 | 0.59 | — | — | |
| SCHEMBL22353233 | 0.58 | — | — | |
| SCHEMBL21578087 | 0.58 | — | — | |
| SCHEMBL15362870 | 0.58 | — | — |
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-8173114-B2 | An agent for promoting excretion of an accumulative chlorine compound comprising a pharmaceutically acceptable anion exchange resin, which is a novel agent that is for promoting the excretion of an accumulative chlorine compound and is | MITSUBISHI TANABE PHARMA CORPORATION (JP) | 2012-05-08 | — | — | US | disclosed |