⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL23487255 | 0.80 | GPR3 (0.33) | — | |
| SCHEMBL23486945 | 0.79 | HKDC1 (0.32) | — | |
| SCHEMBL23487192 | 0.77 | HSD17B10 (0.33) | — | |
| SCHEMBL23487271 | 0.74 | PTPN1 (0.32) | — | |
| SCHEMBL29649749 | 0.74 | GPR3 (0.39) | — | |
| SCHEMBL868331 | 0.74 | GPR3 (0.39) | — | |
| SCHEMBL23487274 | 0.73 | KDM4E (0.32) | — | |
| SCHEMBL22932888 | 0.73 | MAPT (0.33) | — | |
| SCHEMBL23487218 | 0.73 | MAPT (0.36) | — | |
| SCHEMBL22136390 | 0.70 | ALKBH5 (0.34) | — |
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 |