⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2680647 | 0.97 | — | — | |
| SCHEMBL75106 | 0.71 | ALDH1A1 (0.41) | — | |
| SCHEMBL4123649 | 0.71 | — | — | |
| SCHEMBL891486 | 0.69 | — | — | |
| SCHEMBL6610152 | 0.67 | ALDH1A1 (0.50) | — | |
| SCHEMBL84491 | 0.65 | — | — | |
| SCHEMBL10529025 | 0.64 | — | — | |
| SCHEMBL588013 | 0.61 | — | — | |
| SCHEMBL9294483 | 0.58 | TTR (0.47) | — | |
| SCHEMBL7185761 | 0.58 | TRPV4 (0.39) | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8680139-B2 | Anti-neoplastic compounds, compositions and methods | PROGENRA (US) | 2014-03-25 | — | — | US | disclosed |
| US-20120114765-A1 | ANTI-NEOPLASTIC COMPOUNDS, COMPOSITIONS AND METHODS | PROGENRA | 2012-05-10 | — | — | US | disclosed |
| WO-2010114881-A1 | ANTI-NEOPLASTIC COMPOUNDS, COMPOSITIONS AND METHODS | PROGENRA INC. (US) | 2010-10-07 | — | — | WO | disclosed |