⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1209106 | 0.77 | — | — | |
| SCHEMBL28922581 | 0.75 | — | — | |
| SCHEMBL31120308 | 0.75 | — | — | |
| SCHEMBL19281348 | 0.72 | ALDH1A1 (0.47) | — | |
| SCHEMBL12403896 | 0.71 | TRPM8 (0.52) | — | |
| SCHEMBL25659127 | 0.71 | — | — | |
| SCHEMBL1799520 | 0.71 | — | — | |
| SCHEMBL2318748 | 0.70 | — | — | |
| SCHEMBL1888991 | 0.70 | MAPT (0.69) | — | |
| SCHEMBL20783722 | 0.70 | TRPM8 (0.50) | — |
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-0282320-B1 | BISPHOSPHONIC ACID DERIVATIVES AND MEDICINES CONTAINING THE SAME | YAMANOUCHI PHARMACEUTICAL CO. LTD. (JP) | 1991-12-11 | — | — | EP | claimed |
| CN-1019397-B | The method for preparing diphosphonic acid derivative | YAMANOUCHI PHARMA CO LTD (JP) | 1992-12-09 | — | — | CN | disclosed |