⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL22487561 | 0.94 | PRKDC (0.30) | — | |
| SCHEMBL22486315 | 0.90 | — | — | |
| SCHEMBL22487681 | 0.90 | PRKDC (0.30) | — | |
| SCHEMBL22486323 | 0.89 | — | — | |
| SCHEMBL27021021 | 0.86 | ACP1 (0.32) | — | |
| SCHEMBL22486566 | 0.86 | KDM4E (0.36) | — | |
| SCHEMBL22486561 | 0.86 | TNKS (0.30) | — | |
| SCHEMBL22311752 | 0.86 | TNKS (0.31) | — | |
| SCHEMBL22487662 | 0.85 | ALDH1A1 (0.31) | — | |
| SCHEMBL25732317 | 0.85 | — | — |
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-2020197253-A1 | HETEROCYCLIC COMPOUND AND ORGANIC LIGHT EMITTING DIODE COMPRISING SAME | 주식회사 엘지화학 | 2020-10-01 | — | — | WO | disclosed |