⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL19752211 | 0.78 | — | — | |
| SCHEMBL19752136 | 0.78 | — | — | |
| SCHEMBL1687467 | 0.76 | — | — | |
| SCHEMBL19365179 | 0.75 | — | — | |
| SCHEMBL20940510 | 0.75 | — | — | |
| SCHEMBL13862972 | 0.74 | — | — | |
| SCHEMBL24135777 | 0.73 | — | — | |
| SCHEMBL21483676 | 0.73 | PDK2 (0.32) | — | |
| SCHEMBL21397952 | 0.73 | PDK2 (0.36) | — | |
| SCHEMBL19752186 | 0.73 | — | — |
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-3321246-B1 | DOUBLE SPIRO COMPOUND AND ORGANIC LIGHT-EMITTING ELEMENT COMPRISING SAME | LG CHEMICAL LTD (KR) | 2020-04-15 | — | — | EP | disclosed |