⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL17733934 | 0.79 | — | — | |
| SCHEMBL337243 | 0.77 | — | — | |
| Hydrochloric Acid SCHEMBL11656919 | 0.75 | — | — | |
| SCHEMBL22126695 | 0.75 | — | — | |
| SCHEMBL11786624 | 0.72 | — | — | |
| SCHEMBL5374349 | 0.72 | — | — | |
| SCHEMBL10910671 | 0.72 | ALDH1A1 (0.37) | — | |
| SCHEMBL13063945 | 0.71 | KDM4E (0.39) | — | |
| SCHEMBL11790721 | 0.69 | — | — | |
| SCHEMBL2100459 | 0.69 | — | — |
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 |