⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL18951744 | 0.82 | — | — | |
| SCHEMBL3124691 | 0.78 | TSHR (0.42) | — | |
| SCHEMBL22162266 | 0.77 | TSHR (0.34) | — | |
| SCHEMBL15069912 | 0.77 | ALDH1A1 (0.33) | — | |
| SCHEMBL15309950 | 0.75 | TSHR (0.41) | — | |
| SCHEMBL3671291 | 0.74 | — | — | |
| SCHEMBL17260782 | 0.72 | TSHR (0.43) | — | |
| SCHEMBL3123780 | 0.72 | TSHR (0.43) | — | |
| SCHEMBL21555430 | 0.72 | ALDH1A1 (0.37) | — | |
| SCHEMBL1960012 | 0.72 | TSHR (0.43) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-3406597-B1 | CONDENSED CYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME | SAMSUNG DISPLAY CO LTD (KR) | 2019-10-30 | — | — | EP | disclosed |