⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL15244477 | 0.83 | CA1 (0.33) | — | |
| SCHEMBL26377802 | 0.77 | RAPGEF4 (0.31) | — | |
| SCHEMBL13082286 | 0.77 | TRPV4 (0.41) | — | |
| SCHEMBL313724 | 0.73 | RAPGEF4 (0.31) | — | |
| SCHEMBL172019 | 0.69 | CA1 (0.35) | — | |
| SCHEMBL14327159 | 0.69 | CES2 (0.38) | — | |
| SCHEMBL22979994 | 0.69 | HDAC8 (0.37) | — | |
| SCHEMBL14435896 | 0.69 | SELL (0.32) | — | |
| SCHEMBL169896 | 0.68 | CA1 (0.38) | — | |
| SCHEMBL11415512 | 0.68 | HDAC1 (0.37) | — |
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-8093177-B2 | Metal oxides having molecular and/or biomolecular functionalization | WISCONSIN ALUMNI RESEARCH FOUNDATION (US) | 2012-01-10 | — | — | US | disclosed |
| WO-2010053847-A2 | MOLECULAR AND BIOMOLECULAR FUNCTIONALIZATION OF METAL OXIDES | WISCONSIN ALUMNI RESEARCH FOUNDATION (US) | 2010-05-14 | — | — | WO | disclosed |
| US-20100108490-A1 | MOLECULAR AND BIOMOLECULAR FUNCTIONALIZATION OF METAL OXIDES | WISCONSIN ALUMNI RESEARCH FOUNDATION | 2010-05-06 | — | — | US | disclosed |