⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL23281247 | 0.83 | CYP1A1 (0.32) | — | |
| SCHEMBL22180403 | 0.82 | CYP1A1 (0.30) | — | |
| SCHEMBL24048267 | 0.82 | AHR (0.40) | — | |
| SCHEMBL23281236 | 0.81 | — | — | |
| SCHEMBL24047345 | 0.81 | ABCG2 (0.36) | — | |
| SCHEMBL23975297 | 0.79 | CYP1A2 (0.32) | — | |
| SCHEMBL24047386 | 0.79 | ABCG2 (0.41) | — | |
| SCHEMBL24907736 | 0.79 | ABCG2 (0.41) | — | |
| SCHEMBL24152044 | 0.79 | ABCG2 (0.41) | — | |
| SCHEMBL24048090 | 0.77 | ABCG2 (0.38) | — |
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-2021080334-A1 | COMPOUND FOR ORGANIC ELECTRONIC ELEMENT, ORGANIC ELECTRONIC ELEMENT USING SAME, AND ELECTRONIC DEVICE THEREOF | 덕산네오룩스 주식회사 | 2021-04-29 | — | — | WO | disclosed |