⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL19033848 | 0.82 | — | — | |
| SCHEMBL19262994 | 0.77 | — | — | |
| SCHEMBL13604088 | 0.76 | — | — | |
| SCHEMBL19534432 | 0.72 | — | — | |
| SCHEMBL20663359 | 0.67 | PTGS1 (0.38) | — | |
| SCHEMBL14290840 | 0.67 | — | — | |
| SCHEMBL20058488 | 0.67 | — | — | |
| SCHEMBL21575486 | 0.66 | — | — | |
| SCHEMBL8438970 | 0.65 | — | — | |
| SCHEMBL8142690 | 0.65 | — | — |
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-3441391-A1 | HETEROCYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME | Samsung Display Co., Ltd. (KR) | 2019-02-13 | — | — | EP | disclosed |