⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL20066885 | 0.92 | — | — | |
| SCHEMBL20066773 | 0.92 | — | — | |
| SCHEMBL20066916 | 0.90 | — | — | |
| SCHEMBL20066894 | 0.86 | — | — | |
| SCHEMBL20066927 | 0.85 | — | — | |
| SCHEMBL20066966 | 0.85 | — | — | |
| SCHEMBL20066922 | 0.82 | — | — | |
| SCHEMBL20066937 | 0.82 | KEAP1 (0.33) | — | |
| SCHEMBL20066920 | 0.82 | OPRM1 (0.38) | — | |
| SCHEMBL20066932 | 0.82 | — | — |
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-20180105741-A1 | CONDENSED CYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME | SAMSUNG DISPLAY CO., LTD. (KR) | 2018-04-19 | — | — | US | disclosed |