⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL10043787 | 0.88 | KDM4E (0.30) | — | |
| SCHEMBL22072785 | 0.77 | KDM4E (0.37) | — | |
| SCHEMBL12992911 | 0.76 | — | — | |
| SCHEMBL26317637 | 0.76 | — | — | |
| SCHEMBL12177799 | 0.74 | — | — | |
| SCHEMBL13523460 | 0.73 | TDP2 (0.30) | — | |
| SCHEMBL17528668 | 0.72 | PDK2 (0.42) | — | |
| SCHEMBL12177786 | 0.72 | PGR (0.31) | — | |
| SCHEMBL22049340 | 0.72 | PDK2 (0.34) | — | |
| SCHEMBL25516360 | 0.71 | ALDH1A1 (0.32) | — |
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-3333168-A1 | CONDENSED CYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME | Samsung Display Co., Ltd. (KR) | 2018-06-13 | — | — | EP | disclosed |