⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL13219515 | 0.73 | — | — | |
| SCHEMBL3926095 | 0.71 | — | — | |
| SCHEMBL940433 | 0.71 | — | — | |
| SCHEMBL28996257 | 0.71 | — | — | |
| SCHEMBL28602292 | 0.71 | CRBN (0.39) | — | |
| SCHEMBL27551517 | 0.69 | — | — | |
| SCHEMBL28225156 | 0.69 | KDM4E (0.37) | — | |
| SCHEMBL467288 | 0.65 | — | — | |
| Ethylene SCHEMBL27432797 | 0.65 | DHFR (0.34) | — | |
| SCHEMBL29088734 | 0.62 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-2234608-A2 | METALLOENZYME INHIBITORS USING METAL BINDING MOIETIES IN COMBINATION WITH TARGETING MOIETIES | Viamet Pharmaceuticals, Inc. (US) | 2010-10-06 | — | — | EP | disclosed |
| WO-2009105140-A2 | METALLOENZYME INHIBITORS USING METAL BINDING MOIETIES IN COMBINATION WITH TARGETING MOIETIES | VIAMET PHARMACEUTICALS, INC. (US) | 2009-08-27 | — | — | WO | disclosed |