⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8745775 | 0.88 | PDE10A (0.31) | — | |
| SCHEMBL14747558 | 0.86 | DGAT1 (0.32) | — | |
| SCHEMBL14747556 | 0.86 | — | — | |
| SCHEMBL5020166 | 0.77 | CYP17A1 (0.33) | — | |
| SCHEMBL8745748 | 0.76 | DGAT1 (0.32) | — | |
| SCHEMBL5020176 | 0.67 | RXFP1 (0.37) | — | |
| SCHEMBL4561919 | 0.63 | SMPD3 (0.35) | — | |
| SCHEMBL20997696 | 0.57 | — | — | |
| SCHEMBL4152078 | 0.57 | KLKB1 (0.37) | — | |
| SCHEMBL15654613 | 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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20120129886-A1 | METALLOENZYME INHIBITOR COMPOUNDS | VIAMET PHARMACEUTICALS, INC. (US) | 2012-05-24 | — | — | US | disclosed |
| WO-2012064943-A2 | METALLOENZYME INHIBITOR COMPOUNDS | VIAMET PHARMACEUTICALS, INC. (US) | 2012-05-18 | — | — | WO | disclosed |