⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL22180141 | 0.92 | AHR (0.31) | — | |
| SCHEMBL22180271 | 0.88 | ALOX5 (0.30) | — | |
| SCHEMBL22180379 | 0.85 | — | — | |
| SCHEMBL23918106 | 0.85 | ALOX5 (0.30) | — | |
| SCHEMBL22180145 | 0.80 | AHR (0.33) | — | |
| SCHEMBL22180413 | 0.78 | AHR (0.37) | — | |
| SCHEMBL23918100 | 0.78 | KDM4E (0.30) | — | |
| SCHEMBL16787068 | 0.78 | — | — | |
| SCHEMBL16559107 | 0.78 | ALDH1A1 (0.41) | — | |
| SCHEMBL23918071 | 0.77 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-20210320258-A1 | COMPOUND FOR AN ORGANIC ELECTRIC ELEMENT, AN ORGANIC ELECTRIC ELEMENT USING THE SAME, AND AN ELECTRONIC DEVICE THEREOF | DUK SAN NEOLUX CO., LTD. (KR) | 2021-10-14 | — | — | US | disclosed |