⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL16660657 | 0.91 | — | — | |
| SCHEMBL18828276 | 0.82 | — | — | |
| SCHEMBL24134605 | 0.81 | — | — | |
| SCHEMBL13850018 | 0.80 | KDM4E (0.30) | — | |
| SCHEMBL25557008 | 0.79 | — | — | |
| SCHEMBL19289337 | 0.77 | — | — | |
| SCHEMBL16683240 | 0.76 | — | — | |
| SCHEMBL13103305 | 0.76 | — | — | |
| SCHEMBL21369610 | 0.75 | — | — | |
| SCHEMBL13795442 | 0.75 | ALDH1A1 (0.37) | — |
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-20150108440-A1 | CONDENSED CYCLIC COMPOUND AND ORGANIC LIGHT EMITTING DEVICE INCLUDING THE SAME | SAMSUNG DISPLAY CO., LTD. (KR) | 2015-04-23 | — | — | US | disclosed |