⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3033934 | 0.76 | PEPD (0.30) | — | |
| SCHEMBL11681823 | 0.75 | — | — | |
| SCHEMBL11476932 | 0.75 | — | — | |
| SCHEMBL4452182 | 0.73 | ALDH1A1 (0.35) | — | |
| SCHEMBL28997568 | 0.73 | — | — | |
| SCHEMBL10887089 | 0.73 | CA2 (0.32) | — | |
| Phosphoric Acid Monomethyl Ester SCHEMBL27955495 | 0.68 | FDPS (0.50) | — | |
| Phosphoric Acid Monomethyl Ester SCHEMBL19942 | 0.68 | — | — | |
| SCHEMBL2215479 | 0.68 | — | — | |
| Phosphoric Acid Monomethyl Ester SCHEMBL27579216 | 0.67 | FDPS (0.41) | — |
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-1406910-B1 | PREPARATION METHODS OF DERIVATIVES OF BISPHOSPHONATES | UNIV PARIS 13 (FR) | 2010-01-13 | — | — | EP | disclosed |
| EP-1406910-A1 | NOVEL BISPHOSPHONATE DERIVATIVES, THEIR PREPARATION METHODS AND USES | Universite Paris 13 (FR) | 2004-04-14 | — | — | EP | disclosed |
| WO-2003008425-A1 | NOVEL BISPHOSPHONATE DERIVATIVES, THEIR PREPARATION METHODS AND USES | UNIVERSITE PARIS 13 (FR) | 2003-01-30 | — | — | WO | disclosed |