⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL279830 | 0.79 | — | — | |
| Potassium SCHEMBL30668585 | 0.76 | — | — | |
| SCHEMBL19443303 | 0.73 | — | — | |
| SCHEMBL16608866 | 0.73 | — | — | |
| SCHEMBL10838094 | 0.71 | — | — | |
| SCHEMBL20636313 | 0.69 | — | — | |
| SCHEMBL965938 | 0.69 | — | — | |
| SCHEMBL18152217 | 0.69 | — | — | |
| SCHEMBL5850172 | 0.67 | — | — | |
| SCHEMBL10840448 | 0.67 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-0000825-B1 | GEMINALLY DISUBSTITUTED INDENE DERIVATIVES, PROCESSES FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM | Kabi AB (SE) | 1982-04-14 | — | — | EP | disclosed |
| US-4218472-A | USED AS DECONGESANT, HYPOTENSIVE AGENT, VASOCONSTRICTOR, ANTI-RESERPINE AGENT, TREATING INCONTINENCE | AB KABI (SE) | 1980-08-19 | — | — | US | disclosed |