⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL377437 | 0.89 | TPMT (0.33) | — | |
| SCHEMBL6397169 | 0.86 | KDM4E (0.32) | — | |
| Hydrochloric Acid SCHEMBL28391599 | 0.86 | KDM4E (0.32) | — | |
| Hydrochloric Acid SCHEMBL620189 | 0.86 | KDM4E (0.32) | — | |
| SCHEMBL621486 | 0.84 | TPMT (0.33) | — | |
| SCHEMBL6389935 | 0.81 | KDM4E (0.32) | — | |
| SCHEMBL3664084 | 0.80 | LMNA (0.32) | — | |
| SCHEMBL31086827 | 0.79 | TPMT (0.33) | — | |
| SCHEMBL3830951 | 0.78 | LMNA (0.34) | — | |
| SCHEMBL12957727 | 0.78 | — | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2240432-A1 | PROCESS FOR THE PREPARATION OF IOSIMENOL | Mallinckrodt Inc. (US) | 2010-10-20 | — | — | EP | disclosed |
| WO-2009091758-A1 | PROCESS FOR THE PREPARATION OF IOSIMENOL | MALLINCKRODT INC. (US) | 2009-07-23 | — | — | WO | disclosed |