⚠ 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 | |
|---|---|---|---|---|
| Medronic Acid SCHEMBL27529620 | 0.81 | KDM4E (0.91) | — | |
| SCHEMBL5065243 | 0.76 | — | — | |
| Medronic Acid SCHEMBL8350837 | 0.76 | KDM4E (1.00) | — | |
| Medronic Acid SCHEMBL66716 | 0.76 | — | — | |
| Medronic Acid SCHEMBL5740833 | 0.72 | KDM4E (0.91) | — | |
| Medronic Acid SCHEMBL8958446 | 0.72 | KDM4E (0.91) | — | |
| Medronic Acid SCHEMBL1478780 | 0.72 | KDM4E (0.91) | — | |
| Medronic Acid SCHEMBL11435920 | 0.72 | KDM4E (0.91) | — | |
| Medronic Acid SCHEMBL10781001 | 0.72 | KDM4E (0.91) | — | |
| Medronic Acid SCHEMBL9327598 | 0.72 | KDM4E (0.91) | — |
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-0594857-A1 | METHANEDIPHOSPHONIC ACID DERIVATIVE, PRODUCTION THEREOF AND MEDICINAL USE THEREOF | TORAY INDUSTRIES, INC. (JP) | 1994-05-04 | — | — | EP | disclosed |