⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL19956320 | 0.77 | — | — | |
| SCHEMBL12497422 | 0.74 | — | — | |
| SCHEMBL31124539 | 0.67 | TSHR (0.47) | — | |
| SCHEMBL1796034 | 0.67 | — | — | |
| SCHEMBL10957073 | 0.67 | — | — | |
| Sulfuric Acid SCHEMBL11557857 | 0.67 | BLM (0.42) | — | |
| SCHEMBL21377119 | 0.66 | — | — | |
| Hydrochloric Acid SCHEMBL9034924 | 0.65 | — | — | |
| Hydrochloric Acid SCHEMBL4419387 | 0.65 | — | — | |
| SCHEMBL5403654 | 0.65 | — | — |
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-2655340-A1 | BI-HETEROARYL COMPOUNDS AS VPS34 INHIBITORS | Novartis AG (CH) | 2013-10-30 | — | — | EP | disclosed |
| WO-2012085815-A1 | BI-HETEROARYL COMPOUNDS AS VPS34 INHIBITORS | NOVARTIS AG (CH) | 2012-06-28 | — | — | WO | disclosed |