⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1290228 | 0.90 | KDM4E (0.34) | — | |
| SCHEMBL19723486 | 0.85 | — | — | |
| SCHEMBL1290231 | 0.85 | GABRG2 (0.35) | — | |
| SCHEMBL5418075 | 0.84 | KDM4E (0.41) | — | |
| SCHEMBL20960261 | 0.83 | CD274 (0.33) | — | |
| SCHEMBL1290218 | 0.81 | KDM4E (0.38) | — | |
| SCHEMBL19712500 | 0.81 | PIK3CA (0.31) | — | |
| SCHEMBL1290113 | 0.81 | KDM4E (0.34) | — | |
| SCHEMBL1290026 | 0.81 | HSD17B10 (0.38) | — | |
| SCHEMBL1290002 | 0.80 | BRD4 (0.36) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-2670410-B1 | ANTIMICROBIAL 4-OXOQUINOLIZINES | EMERGENT PRODUCT DEV GAITHERSBURG INC (US) | 2017-12-20 | — | — | EP | disclosed |