⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL28604051 | 0.74 | MAPT (0.50) | — | |
| SCHEMBL302289 | 0.71 | MAPT (0.51) | — | |
| 3-Methyl-Rhodanine SCHEMBL181527 | 0.70 | — | — | |
| SCHEMBL6324088 | 0.69 | MAPT (0.67) | — | |
| SCHEMBL10784807 | 0.67 | MAPT (0.47) | — | |
| SCHEMBL8224178 | 0.67 | MAPT (0.58) | — | |
| SCHEMBL3075872 | 0.67 | KMT2A (0.67) | — | |
| SCHEMBL7715258 | 0.65 | — | — | |
| SCHEMBL8956616 | 0.65 | — | — | |
| SCHEMBL1275424 | 0.65 | — | — |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20120295856-A1 | FREDERICAMYCIN DERIVATIVES | ZENTOPHARM GMBH (DE) | 2012-11-22 | — | — | 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 |
| 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 |
| EP-2172457-A2 | Fredericamycin derivatives | Biofrontera Discovery Gmbh (DE) | 2010-04-07 | — | — | EP | disclosed |
| EP-1503988-B1 | FREDERICAMYCIN DERIVATIVES | BIOFRONTERA DISCOVERY GMBH (DE) | 2009-07-22 | — | — | EP | disclosed |
| US-20080004415-A1 | Non-linear optically active molecules, their synthesis, and use | OPTIMER PHOTONICS, INC. (US) | 2008-01-03 | — | — | US | disclosed |