⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL20066755 | 0.90 | NPC1 (0.31) | — | |
| SCHEMBL17933079 | 0.89 | KEAP1 (0.31) | — | |
| SCHEMBL20066888 | 0.89 | ALDH1A1 (0.31) | — | |
| SCHEMBL20066938 | 0.89 | KEAP1 (0.33) | — | |
| SCHEMBL24648442 | 0.87 | TSHR (0.33) | — | |
| SCHEMBL20066934 | 0.87 | — | — | |
| SCHEMBL17933085 | 0.86 | GPR84 (0.33) | — | |
| SCHEMBL2606507 | 0.86 | — | — | |
| SCHEMBL20066975 | 0.86 | — | — | |
| SCHEMBL16201739 | 0.85 | GPR84 (0.30) | — |
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 |