⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL19222655 | 0.83 | — | — | |
| SCHEMBL14479156 | 0.80 | TSHR (0.32) | — | |
| SCHEMBL5652938 | 0.78 | — | — | |
| SCHEMBL25808502 | 0.74 | CYP1A2 (0.33) | — | |
| SCHEMBL24380308 | 0.73 | — | — | |
| SCHEMBL6408536 | 0.73 | — | — | |
| SCHEMBL10053868 | 0.73 | — | — | |
| SCHEMBL19865099 | 0.72 | — | — | |
| SCHEMBL20609997 | 0.71 | TSHR (0.36) | — | |
| SCHEMBL12966455 | 0.71 | — | — |
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-3203564-B1 | GEL POLYMER ELECTROLYTE AND LITHIUM SECONDARY BATTERY COMPRISING SAME | LG CHEMICAL LTD (KR) | 2018-02-14 | — | — | EP | disclosed |