⚠ 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 | |
|---|---|---|---|---|
| Lithium Ion SCHEMBL580256 | 0.95 | — | — | |
| Potassium Ion SCHEMBL7052061 | 0.95 | — | — | |
| SCHEMBL2949002 | 0.95 | — | — | |
| SCHEMBL9634201 | 0.95 | — | — | |
| SCHEMBL10345913 | 0.93 | BBOX1 (0.46) | — | |
| Hydrogen Sulfide SCHEMBL28887911 | 0.93 | CA1 (0.52) | — | |
| SCHEMBL9129127 | 0.88 | CA1 (0.52) | — | |
| SCHEMBL9126166 | 0.86 | CA1 (0.50) | — | |
| SCHEMBL5880627 | 0.79 | — | — | |
| Potassium Ion SCHEMBL7047517 | 0.79 | — | — |
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-5093469-A | Alkali Metal Aminoalkanoate | IDEMITSU PETROCHEMICAL COMPANY LIMITED (JP) | 1992-03-03 | — | — | US | disclosed |
| EP-0357045-A2 | A process for preparing polyarylene sulfides | IDEMITSU PETROCHEMICAL CO. LTD. (JP) | 1990-03-07 | — | — | EP | disclosed |