⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2640956 | 0.85 | USP2 (0.64) | — | |
| SCHEMBL12723465 | 0.81 | TSHR (0.65) | — | |
| SCHEMBL17943002 | 0.81 | TSHR (0.65) | — | |
| SCHEMBL13016489 | 0.78 | USP2 (0.43) | — | |
| SCHEMBL9403500 | 0.77 | — | — | |
| SCHEMBL2417424 | 0.77 | — | — | |
| SCHEMBL3706930 | 0.77 | ALDH1A1 (0.52) | — | |
| Ethane Dimethane Sulfonate SCHEMBL1336145 | 0.76 | USP2 (0.75) | — | |
| SCHEMBL13661632 | 0.75 | TSHR (0.50) | — | |
| SCHEMBL17886128 | 0.74 | USP2 (0.55) | — |
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-8633212-B2 | Inhibitors of beta-secretase | VITAE PHARMACEUTICALS, INC. (US) | 2014-01-21 | — | — | US | disclosed |
| US-20100279340-A1 | Imaging agents for protein misfolding | NYU (US) | 2010-11-04 | — | — | US | disclosed |
| US-20080300231-A1 | Antibacterial amide macrocycles VI | BAYER HEALTHCARE AG (DE) | 2008-12-04 | — | — | US | disclosed |