⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL23479415 | 0.94 | — | — | |
| SCHEMBL23479042 | 0.85 | NOS2 (0.31) | — | |
| SCHEMBL23478871 | 0.84 | — | — | |
| SCHEMBL23479045 | 0.83 | METAP2 (0.32) | — | |
| SCHEMBL23479404 | 0.82 | ESR1 (0.32) | — | |
| SCHEMBL23479427 | 0.82 | ESR1 (0.32) | — | |
| SCHEMBL23479153 | 0.81 | — | — | |
| SCHEMBL23479033 | 0.81 | MCL1 (0.32) | — | |
| SCHEMBL23479031 | 0.80 | MEN1 (0.36) | — | |
| SCHEMBL21160308 | 0.80 | ATM (0.32) | — |
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-2021112444-A2 | HETEROCYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE COMPRISING SAME | 엘티소재주식회사 | 2021-06-10 | — | — | WO | disclosed |