⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL10598 | 0.96 | — | — | |
| Hydrochloric Acid SCHEMBL3173744 | 0.93 | — | — | |
| SCHEMBL28062399 | 0.93 | — | — | |
| Ethane SCHEMBL6858547 | 0.90 | — | — | |
| Succinic Acid SCHEMBL5017517 | 0.76 | — | — | |
| Succinic Acid SCHEMBL2727146 | 0.76 | LMNA (0.90) | — | |
| SCHEMBL449199 | 0.76 | — | — | |
| Succinic Acid SCHEMBL2596564 | 0.74 | LMNA (0.69) | — | |
| Hydrochloric Acid SCHEMBL29117379 | 0.73 | — | — | |
| SCHEMBL451416 | 0.73 | — | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2038291-B1 | PROCESS FOR THE SYNTHESIS OF IBANDRONATE SODIUM | CIPLA LTD (IN) | 2010-07-14 | — | — | EP | claimed |