⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL19595553 | 0.91 | HSP90AA1 (0.32) | — | |
| SCHEMBL18518104 | 0.83 | PDK2 (0.31) | — | |
| SCHEMBL19055951 | 0.81 | PDK2 (0.35) | — | |
| SCHEMBL19545016 | 0.81 | PDK2 (0.37) | — | |
| SCHEMBL15839401 | 0.81 | — | — | |
| SCHEMBL18974809 | 0.80 | — | — | |
| SCHEMBL19055866 | 0.79 | ALOX5 (0.33) | — | |
| SCHEMBL19543818 | 0.79 | RXRA (0.31) | — | |
| SCHEMBL17736546 | 0.79 | — | — | |
| SCHEMBL22524800 | 0.78 | HSP90AA1 (0.33) | — |
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-20170194569-A1 | ORGANIC LIGHT-EMITTING DEVICE | SAMSUNG DISPLAY CO., LTD. (KR) | 2017-07-06 | — | — | US | disclosed |