⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8778209 | 0.80 | — | — | |
| SCHEMBL9227721 | 0.80 | — | — | |
| SCHEMBL9170829 | 0.72 | — | — | |
| SCHEMBL8778265 | 0.70 | — | — | |
| SCHEMBL9169758 | 0.70 | — | — | |
| SCHEMBL9281415 | 0.69 | SLC6A1 (0.33) | — | |
| SCHEMBL8778254 | 0.66 | FDPS (0.38) | — | |
| SCHEMBL9169409 | 0.64 | SLC6A1 (0.32) | — | |
| SCHEMBL9175758 | 0.62 | — | — | |
| SCHEMBL9180370 | 0.62 | — | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0650361-A1 | COMPOSITIONS FOR THE TREATMENT OF ARTHRITIS CONTAINING PHOSPHONATES AND NSAIDS | PROCTER & GAMBLE PHARMACEUTICALS, INC. (US) | 1995-05-03 | — | — | EP | disclosed |
| EP-0642521-A1 | THIO-SUBSTITUTED NITROGEN-CONTAINING HETEROCYCLIC PHOSPHONATE COMPOUNDS FOR TREATING ABNORMAL CALCIUM AND PHOSPHATE METABOLISM | PROCTER & GAMBLE PHARMACEUTICALS (US) | 1995-03-15 | — | — | EP | disclosed |
| WO-1993024500-A1 | THIO-SUBSTITUTED NITROGEN-CONTAINING HETEROCYCLIC PHOSPHONATE COMPOUNDS FOR TREATING ABNORMAL CALCIUM AND PHOSPHATE METABOLISM | THE PROCTER & GAMBLE PHARMACEUTICALS, INC. (US) | 1993-12-09 | — | — | WO | disclosed |