⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL18803624 | 1.00 | — | — | |
| SCHEMBL16424653 | 0.82 | AURKA (0.32) | — | |
| SCHEMBL12845073 | 0.82 | GABRR1 (0.31) | — | |
| SCHEMBL18804430 | 0.80 | — | — | |
| SCHEMBL19336505 | 0.76 | CCR2 (0.31) | — | |
| SCHEMBL19084434 | 0.76 | — | — | |
| SCHEMBL10184485 | 0.73 | — | — | |
| SCHEMBL8203034 | 0.72 | — | — | |
| SCHEMBL21986415 | 0.66 | — | — | |
| SCHEMBL13057485 | 0.66 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2019191454-A1 | COMPOSITION OF MATTER FOR USE ORGANIC LIGHT-EMITTING DIODES | KYULUX, INC. (JP) | 2019-10-03 | — | — | WO | disclosed |