⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL10028274 | 0.80 | — | — | |
| SCHEMBL12440746 | 0.71 | — | — | |
| Hexamethylbenzene SCHEMBL114857 | 0.67 | RXFP1 (0.33) | — | |
| SCHEMBL12993820 | 0.65 | — | — | |
| SCHEMBL12993816 | 0.65 | ALOX5 (0.31) | — | |
| SCHEMBL8519809 | 0.65 | — | — | |
| SCHEMBL9077911 | 0.64 | — | — | |
| SCHEMBL12731429 | 0.62 | TSHR (0.38) | — | |
| Hexamethylbenzene SCHEMBL10608743 | 0.61 | RXFP1 (0.31) | — | |
| Hexamethylbenzene SCHEMBL10952629 | 0.61 | RXFP1 (0.31) | — |
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-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 |
| US-20090045725-A1 | POLYARYLENE | SUMITOMO CHEMICAL COMPANY, LIMITED (JP) | 2009-02-19 | — | — | US | disclosed |