⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL19337218 | 0.74 | — | — | |
| SCHEMBL2398119 | 0.64 | — | — | |
| SCHEMBL17355142 | 0.62 | — | — | |
| SCHEMBL10793630 | 0.58 | — | — | |
| Calcium Chloride SCHEMBL5381230 | 0.45 | — | — | |
| SCHEMBL20781 | 0.43 | — | — | |
| Calcium Chloride SCHEMBL23803973 | 0.41 | — | — | |
| Calcium Chloride SCHEMBL20577233 | 0.41 | — | — | |
| Calcium Chloride SCHEMBL23441478 | 0.41 | — | — | |
| Calcium Chloride SCHEMBL21751993 | 0.41 | — | — |
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-1083171-B1 | PYRAZOLINE DERIVATIVES, THEIR PREPARATION AND APPLICATION AS MEDICAMENTS | ESTEVE LABOR DR (ES) | 2004-04-28 | — | — | EP | claimed |
| EP-0340117-B1 | METHOD OF DIACYLATION OF COMPOUNDS CONTAINING TWO AROMATIC RINGS | ELF ATOCHEM S.A. (FR) | 1992-07-08 | — | — | EP | claimed |