⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL21250495 | 0.74 | — | — | |
| SCHEMBL160264 | 0.65 | — | — | |
| SCHEMBL3833077 | 0.63 | ATAD2 (0.36) | — | |
| SCHEMBL28296066 | 0.63 | AXL (0.35) | — | |
| SCHEMBL5216 | 0.62 | — | — | |
| SCHEMBL83269 | 0.61 | — | — | |
| SCHEMBL385618 | 0.60 | PARP1 (0.41) | — | |
| SCHEMBL30322758 | 0.59 | AURKA (0.65) | — | |
| SCHEMBL12396544 | 0.59 | AURKA (0.65) | — | |
| SCHEMBL27263847 | 0.59 | LMNA (0.48) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-8709377-B2 | Molecular hydrogen stores and hydrogen transfer reagents for hydrogenation reactions | UNIVERSITAT HEIDELBERG (DE) | 2014-04-29 | — | — | US | disclosed |
| US-20100172825-A1 | Molecular Hydrogen Stores and Hydrogen Transfer Reagents for Hydrogenation Reactions | UNIVERSITAT HEIDELBERG (DE) | 2010-07-08 | — | — | US | disclosed |
| EP-2160353-A2 | MOLECULAR HYDROGEN STORES AND HYDROGEN TRANSFER REAGENTS FOR HYDROGENATION REACTIONS | Universität Heidelberg (DE) | 2010-03-10 | — | — | EP | disclosed |
| WO-2008141705-A2 | MOLECULAR HYDROGEN STORES AND HYDROGEN TRANSFER REAGENTS FOR HYDROGENATION REACTIONS | Universität Heidelberg (DE) | 2008-11-27 | — | — | WO | disclosed |