⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL537196 | 0.75 | — | — | |
| Isopropylamine SCHEMBL19813885 | 0.72 | — | — | |
| Isopropylamine SCHEMBL30440281 | 0.72 | — | — | |
| SCHEMBL3861719 | 0.72 | — | — | |
| Isopropylamine SCHEMBL2909 | 0.72 | — | — | |
| SCHEMBL22719 | 0.72 | — | — | |
| Hydrochloric Acid SCHEMBL28864197 | 0.71 | — | — | |
| Ethane SCHEMBL7149441 | 0.67 | — | — | |
| SCHEMBL3347623 | 0.67 | — | — | |
| SCHEMBL1773891 | 0.67 | — | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2091919-B1 | DERIVATIVES OF 18-AMINO SUBSTITUTED ANALOGS OF THE GELDAMYCIN HYDROQUINON WITH CYTOTOXIC ACTIVITY FOR THE TREATMENT OF CANCER | ABRAXIS BIOSCIENCE LLC (US) | 2011-08-17 | — | — | EP | disclosed |
| EP-2091919-A1 | DERIVATIVES OF 18-AMINO SUBSTITUTED ANALOGS OF THE GELDAMYCIN HYDROQUINON WITH CYTOTOXIC ACTIVITY FOR THE TREATMENT OF CANCER | Abraxis BioScience, Inc. (US) | 2009-08-26 | — | — | EP | disclosed |
| WO-2008061134-A1 | DERIVATIVES OF 18-AMINO SUBSTITUTED ANALOGS OF THE GELDAMYCIN HYDROQUINON WITH CYTOTOXIC ACTIVITY FOR THE TREATMENT OF CANCER | ABRAXIS BIOSCIENCE, INC. (US) | 2008-05-22 | — | — | WO | disclosed |
| WO-2007059116-A2 | GELDANAMYCIN DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS THEREOF | ABRAXIS BIOSCIENCE, INC. (US) | 2007-05-24 | — | — | WO | disclosed |