⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1133795 | 1.00 | — | — | |
| SCHEMBL9307785 | 0.77 | GABRR1 (0.35) | — | |
| SCHEMBL9307779 | 0.77 | GABRR1 (0.35) | — | |
| SCHEMBL439474 | 0.76 | CA2 (0.39) | — | |
| SCHEMBL1375945 | 0.76 | CA2 (0.39) | — | |
| SCHEMBL6831072 | 0.67 | — | — | |
| SCHEMBL6831073 | 0.67 | — | — | |
| SCHEMBL6831075 | 0.67 | — | — | |
| SCHEMBL2459531 | 0.65 | — | — | |
| Phosphoric Acid SCHEMBL7530834 | 0.65 | — | — |
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-1320536-A1 | $g(a)-SUBSTITUTED $g(b)-AMINOETHYL PHOSPHONATES | Ilex Oncology Research S.A. (CH) | 2003-06-25 | — | — | EP | disclosed |