⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL253126 | 0.77 | TSHR (0.41) | — | |
| SCHEMBL30851 | 0.75 | — | — | |
| SCHEMBL6435438 | 0.75 | SMN1; SMN2 (0.52) | — | |
| SCHEMBL6435439 | 0.75 | SMN1; SMN2 (0.52) | — | |
| Charcoal, Activated SCHEMBL890031 | 0.73 | — | — | |
| Ammonia Solution, Strong SCHEMBL1076016 | 0.73 | — | — | |
| Methane SCHEMBL27388128 | 0.73 | — | — | |
| SCHEMBL4612934 | 0.73 | — | — | |
| Trimethylammonium SCHEMBL28033781 | 0.73 | TSHR (0.52) | — | |
| SCHEMBL11289910 | 0.71 | — | — |
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-0272208-A1 | Aromatically substituted azacyclo-alkylalkanediphosphonic acids | CIBA-GEIGY AG (CH) | 1988-06-22 | — | — | EP | disclosed |