⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7595313 | 0.83 | — | — | |
| SCHEMBL13811806 | 0.83 | TSHR (0.35) | — | |
| SCHEMBL4947490 | 0.80 | MAPK1 (0.31) | — | |
| SCHEMBL18974131 | 0.77 | TSHR (0.31) | — | |
| SCHEMBL9496885 | 0.76 | — | — | |
| SCHEMBL12533343 | 0.76 | — | — | |
| SCHEMBL17233353 | 0.75 | TSHR (0.33) | — | |
| SCHEMBL9498054 | 0.74 | — | — | |
| SCHEMBL18506048 | 0.73 | LMNA (0.36) | — | |
| SCHEMBL1490802 | 0.72 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-8247424-B2 | Water soluble groups on ring A; antitumor antibiotics; 1-Desoxy-5-C-[(8R)-4',9,9'-trihydroxy-6'-methoxy-1,1',3',5',8'-pentaoxo-1,1',2,3',5',6,7,8'-octahydrospiro[cyclopenta[g]isoquinoline-8,2'-cyclopenta[b]-naphthalene]-3-yl]pentitol; topoisomerase inhibitors; cyclodextrin inclusions; stereoisomers | ZENTOPHARM GMBH (DE) | 2012-08-21 | — | — | US | disclosed |
| US-8247424-B2 | Water soluble groups on ring A; antitumor antibiotics; 1-Desoxy-5-C-[(8R)-4',9,9'-trihydroxy-6'-methoxy-1,1',3',5',8'-pentaoxo-1,1',2,3',5',6,7,8'-octahydrospiro[cyclopenta[g]isoquinoline-8,2'-cyclopenta[b]-naphthalene]-3-yl]pentitol; topoisomerase inhibitors; cyclodextrin inclusions; stereoisomers | ZENTOPHARM GMBH (DE) | 2012-08-21 | — | — | US | disclosed |