⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL843371 | 0.80 | CHRM2 (0.69) | — | |
| SCHEMBL23823019 | 0.78 | — | — | |
| Methane SCHEMBL28948442 | 0.78 | CHRM2 (0.67) | — | |
| SCHEMBL28830272 | 0.76 | — | — | |
| SCHEMBL15048901 | 0.76 | — | — | |
| SCHEMBL1098197 | 0.76 | — | — | |
| SCHEMBL18539285 | 0.76 | — | — | |
| SCHEMBL2086456 | 0.76 | — | — | |
| SCHEMBL1642902 | 0.76 | CHRM2 (0.77) | — | |
| SCHEMBL172653 | 0.76 | — | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2012085815-A1 | BI-HETEROARYL COMPOUNDS AS VPS34 INHIBITORS | NOVARTIS AG (CH) | 2012-06-28 | — | — | WO | disclosed |