⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4722760 | 0.73 | MAPT (0.36) | — | |
| SCHEMBL1401018 | 0.72 | — | — | |
| SCHEMBL276651 | 0.70 | — | — | |
| SCHEMBL269505 | 0.69 | — | — | |
| SCHEMBL1401104 | 0.69 | — | — | |
| SCHEMBL271193 | 0.67 | — | — | |
| Bicarbonate SCHEMBL13372634 | 0.66 | FFAR3 (0.41) | — | |
| Bicarbonate SCHEMBL14244821 | 0.66 | FFAR3 (0.41) | — | |
| Bicarbonate SCHEMBL9490653 | 0.66 | FFAR3 (0.41) | — | |
| Bicarbonate SCHEMBL14353233 | 0.66 | FFAR3 (0.41) | — |
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-2948450-A1 | METALLOENZYME INHIBITOR COMPOUNDS | Viamet Pharmaceuticals, Inc. (US) | 2015-12-02 | — | — | EP | disclosed |
| WO-2014117090-A1 | METALLOENZYME INHIBITOR COMPOUNDS | VIAMET PHARMACEUTICALS, INC. (US) | 2014-07-31 | — | — | WO | disclosed |