⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL23486997 | 0.84 | CYP1A1 (0.30) | — | |
| SCHEMBL23487004 | 0.82 | — | — | |
| SCHEMBL23487000 | 0.79 | CYP1A2 (0.31) | — | |
| SCHEMBL23486993 | 0.79 | — | — | |
| SCHEMBL15852467 | 0.78 | GPR84 (0.37) | — | |
| SCHEMBL23487254 | 0.75 | CYP1A2 (0.35) | — | |
| SCHEMBL23487168 | 0.75 | L3MBTL1 (0.36) | — | |
| SCHEMBL23487008 | 0.75 | PLA2G2A (0.32) | — | |
| SCHEMBL22954197 | 0.75 | CYP1A2 (0.39) | — | |
| SCHEMBL23487172 | 0.74 | KDM4E (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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2021112478-A1 | COMPOUND FOR ORGANIC ELECTRIC ELEMENT, ORGANIC ELECTRIC ELEMENT USING SAME, AND ELECTRONIC DEVICE THEREOF | 덕산네오룩스 주식회사 | 2021-06-10 | — | — | WO | disclosed |