⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5847090 | 0.78 | ALDH1A1 (0.38) | — | |
| SCHEMBL19474284 | 0.73 | — | — | |
| SCHEMBL2166883 | 0.72 | — | — | |
| SCHEMBL7741975 | 0.71 | — | — | |
| SCHEMBL5050328 | 0.71 | — | — | |
| SCHEMBL6797745 | 0.71 | — | — | |
| SCHEMBL4025607 | 0.71 | — | — | |
| SCHEMBL3647422 | 0.71 | — | — | |
| SCHEMBL37147 | 0.71 | — | — | |
| SCHEMBL3176811 | 0.71 | ALDH1A1 (0.32) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-2178523-A2 | TRANSDERMAL THERAPEUTIC SYSTEMS WHICH CONTAIN THE SUBSTANCE ANASTROZOLE | Brätter, Christian (DE) | 2010-04-28 | — | — | EP | claimed |
| WO-2009007334-A2 | TRANSDERMAL THERAPEUTIC SYSTEMS WHICH CONTAIN THE SUBSTANCE ANASTROZOLE | BRAETTER CHRISTIAN (DE) | 2009-01-15 | — | — | WO | claimed |
| US-20110009617-A1 | Ruthenium Catalysts and Uses Thereof | CHE CHI-MING | 2011-01-13 | — | — | US | disclosed |
| US-20110009617-A1 | Ruthenium Catalysts and Uses Thereof | CHE CHI-MING | 2011-01-13 | — | — | US | disclosed |
| EP-2178523-A2 | TRANSDERMAL THERAPEUTIC SYSTEMS WHICH CONTAIN THE SUBSTANCE ANASTROZOLE | Brätter, Christian (DE) | 2010-04-28 | — | — | EP | disclosed |
| WO-2009007334-A2 | TRANSDERMAL THERAPEUTIC SYSTEMS WHICH CONTAIN THE SUBSTANCE ANASTROZOLE | BRAETTER CHRISTIAN (DE) | 2009-01-15 | — | — | WO | disclosed |