⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL23203958 | 0.81 | — | — | |
| SCHEMBL19789832 | 0.81 | KDM4E (0.35) | — | |
| SCHEMBL1709197 | 0.80 | PRKDC (0.33) | — | |
| SCHEMBL15137530 | 0.79 | ALOX5 (0.41) | — | |
| SCHEMBL18639570 | 0.77 | PRKDC (0.33) | — | |
| SCHEMBL15337998 | 0.76 | KDM4E (0.30) | — | |
| SCHEMBL25705768 | 0.76 | KDM4E (0.37) | — | |
| SCHEMBL20020439 | 0.76 | — | — | |
| SCHEMBL16615015 | 0.76 | ALOX5 (0.34) | — | |
| SCHEMBL25564979 | 0.76 | KDM4E (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 |
|---|---|---|---|---|---|---|---|
| EP-3141550-A1 | CONDENSED CYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME | Samsung Electronics Co., Ltd. (KR) | 2017-03-15 | — | — | EP | disclosed |