⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5669401 | 0.84 | — | — | |
| SCHEMBL27909168 | 0.76 | — | — | |
| SCHEMBL9390790 | 0.74 | TSHR (0.33) | — | |
| SCHEMBL1533440 | 0.70 | — | — | |
| SCHEMBL9027634 | 0.70 | — | — | |
| SCHEMBL5964938 | 0.67 | — | — | |
| SCHEMBL22448 | 0.65 | — | — | |
| SCHEMBL557763 | 0.65 | — | — | |
| SCHEMBL28022621 | 0.64 | TSHR (0.32) | — | |
| SCHEMBL9028540 | 0.64 | — | — |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2004026243-A2 | THERAPEUTIC USES OF LINEAR KETOPHOSPHONATES | ILEX ONCOLOGY RESEARCH, SARL (CH) | 2004-04-01 | — | — | WO | claimed |
| WO-2004026242-A2 | SUBSTITUTED KETOPHOSPHONATE INHIBITORS OF TUMOR CELL PROLIFERATION | ILEX ONCOLOGY RESEARCH, SARL (CH) | 2004-04-01 | — | — | WO | claimed |
| EP-1551418-A4 | SUBSTITUTED KETOPHOSPHONATE COMPOUNDS HAVING BONE ANABOLIC ACTIVITY | ILEX ONCOLOGY RES SARL (CH) | 2006-05-03 | — | — | EP | disclosed |
| EP-1551418-A1 | SUBSTITUTED KETOPHOSPHONATE COMPOUNDS HAVING BONE ANABOLIC ACTIVITY | Ilex Oncology Research Sàrl (CH) | 2005-07-13 | — | — | EP | disclosed |
| WO-2004026243-A2 | THERAPEUTIC USES OF LINEAR KETOPHOSPHONATES | ILEX ONCOLOGY RESEARCH, SARL (CH) | 2004-04-01 | — | — | WO | disclosed |
| WO-2004026315-A1 | SUBSTITUTED KETOPHOSPHONATE COMPOUNDS HAVING BONE ANABOLIC ACTIVITY | ILEX ONCOLOGY RESEARCH, SARL (CH) | 2004-04-01 | — | — | WO | disclosed |