⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL20199624 | 0.96 | — | — | |
| SCHEMBL20199746 | 0.88 | ALDH1A1 (0.30) | — | |
| SCHEMBL20199749 | 0.86 | KDM4E (0.32) | — | |
| SCHEMBL20199767 | 0.86 | KDM4E (0.36) | — | |
| SCHEMBL20199744 | 0.86 | KDM4E (0.34) | — | |
| SCHEMBL20199725 | 0.85 | — | — | |
| SCHEMBL26476614 | 0.85 | — | — | |
| SCHEMBL20199742 | 0.85 | MAPT (0.32) | — | |
| SCHEMBL20199575 | 0.85 | KDM4E (0.33) | — | |
| SCHEMBL26476516 | 0.84 | PDK2 (0.32) | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-11001752-B2 | Double spiro organic compound and organic electronic element comprising same | LG CHEM, LTD. (KR) | 2021-05-11 | — | — | US | disclosed |
| US-20180148640-A1 | DOUBLE SPIRO ORGANIC COMPOUND AND ORGANIC ELECTRONIC ELEMENT COMPRISING SAME | LG CHEM, LTD. (KR) | 2018-05-31 | — | — | US | disclosed |
| US-20180148640-A1 | DOUBLE SPIRO ORGANIC COMPOUND AND ORGANIC ELECTRONIC ELEMENT COMPRISING SAME | LG CHEM, LTD. (KR) | 2018-05-31 | — | — | US | disclosed |