⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL19362269 | 0.89 | PIK3CA (0.30) | — | |
| SCHEMBL19362426 | 0.86 | — | — | |
| SCHEMBL19349909 | 0.79 | JUN (0.35) | — | |
| SCHEMBL19362266 | 0.75 | — | — | |
| SCHEMBL19362359 | 0.74 | PDE10A (0.36) | — | |
| SCHEMBL28660490 | 0.71 | HTR7 (0.33) | — | |
| SCHEMBL19360180 | 0.70 | CNR2 (0.31) | — | |
| SCHEMBL19362430 | 0.67 | — | — | |
| SCHEMBL19349870 | 0.67 | JUN (0.33) | — | |
| SCHEMBL19362230 | 0.66 | PDE10A (0.34) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-20170267679-A1 | TRICYCLIC FUSED PYRIMIDINE COMPOUNDS AS INHIBITORS OF p97 COMPLEX | CLEAVE BIOSCIENCES INC (US) | 2017-09-21 | — | — | US | disclosed |