⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL19362376 | 0.95 | CYP2D6 (0.30) | — | |
| SCHEMBL19360210 | 0.85 | — | — | |
| SCHEMBL19360217 | 0.81 | CHRNA7 (0.30) | — | |
| SCHEMBL19360196 | 0.77 | JUN (0.33) | — | |
| SCHEMBL19360205 | 0.76 | — | — | |
| SCHEMBL19349870 | 0.74 | JUN (0.33) | — | |
| SCHEMBL19360213 | 0.73 | HIF1A (0.32) | — | |
| SCHEMBL19349833 | 0.70 | HIF1A (0.32) | — | |
| SCHEMBL19349862 | 0.69 | CHRNA7 (0.33) | — | |
| SCHEMBL19360218 | 0.68 | CHRNA7 (0.35) | — |
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 |