⚠ 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 | |
|---|---|---|---|---|
| Butane SCHEMBL3151333 | 0.89 | TSHR (0.33) | — | |
| Butane SCHEMBL31240952 | 0.89 | TSHR (0.33) | — | |
| Butane SCHEMBL909419 | 0.84 | LMNA (0.31) | — | |
| Butane SCHEMBL5142246 | 0.84 | LMNA (0.31) | — | |
| SCHEMBL116897 | 0.83 | TSHR (0.50) | — | |
| Propane SCHEMBL7622911 | 0.82 | — | — | |
| Propane SCHEMBL16416484 | 0.82 | — | — | |
| Hexane SCHEMBL27826796 | 0.80 | TSHR (0.58) | — | |
| Pentane SCHEMBL2525553 | 0.80 | TSHR (0.64) | — | |
| Phosphine SCHEMBL23300907 | 0.80 | TSHR (0.47) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-0246825-A2 | Quaternary salt solution electrolyte for electrolytic capacitors | MITSUBISHI PETROCHEMICAL CO., LTD. (JP) | 1987-11-25 | — | — | EP | disclosed |