⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL19003184 | 0.87 | CHRNA7 (0.36) | — | |
| SCHEMBL22741147 | 0.81 | KDM4E (0.42) | — | |
| SCHEMBL22415195 | 0.80 | KDM4E (0.40) | — | |
| SCHEMBL25956652 | 0.80 | KDM4E (0.40) | — | |
| SCHEMBL18568854 | 0.78 | KDM4E (0.40) | — | |
| SCHEMBL23544455 | 0.78 | ALDH1A1 (0.33) | — | |
| SCHEMBL21388324 | 0.78 | KDM4E (0.36) | — | |
| SCHEMBL22741355 | 0.78 | KDM4E (0.43) | — | |
| SCHEMBL19636266 | 0.75 | KDM4E (0.39) | — | |
| SCHEMBL23472967 | 0.75 | KDM4E (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 |
|---|---|---|---|---|---|---|---|
| WO-2019172647-A1 | HETEROCYCLIC COMPOUND AND ORGANIC LIGHT EMITTING DEVICE COMPRISING SAME | 주식회사 엘지화학 | 2019-09-12 | — | — | WO | disclosed |