⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL17950531 | 0.85 | THRB (0.36) | — | |
| SCHEMBL14652804 | 0.85 | THRB (0.36) | — | |
| SCHEMBL30258679 | 0.79 | — | — | |
| SCHEMBL18962202 | 0.79 | ALDH1A1 (0.35) | — | |
| SCHEMBL10251487 | 0.77 | — | — | |
| SCHEMBL6671467 | 0.76 | ALDH1A1 (0.41) | — | |
| SCHEMBL22310431 | 0.76 | — | — | |
| SCHEMBL27114563 | 0.74 | ALDH1A1 (0.47) | — | |
| SCHEMBL21026379 | 0.73 | — | — | |
| SCHEMBL21366595 | 0.73 | — | — |
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-2022139228-A1 | HETEROCYCLIC COMPOUND, ORGANIC LIGHT-EMITTING DEVICE COMPRISING SAME, MANUFACTURING METHOD THEREFOR, AND COMPOSITION FOR ORGANIC MATERIAL LAYER | 엘티소재주식회사 | 2022-06-30 | — | — | WO | disclosed |