⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL25679740 | 0.81 | TSHR (0.33) | — | |
| SCHEMBL24521058 | 0.80 | MAPK1 (0.35) | — | |
| SCHEMBL24521300 | 0.79 | ALOX5 (0.31) | — | |
| SCHEMBL25653011 | 0.78 | ALOX5 (0.41) | — | |
| SCHEMBL24585713 | 0.77 | KMT2A (0.40) | — | |
| SCHEMBL17252621 | 0.75 | PRKDC (0.35) | — | |
| SCHEMBL25677947 | 0.74 | KDM4E (0.31) | — | |
| SCHEMBL26165450 | 0.74 | PLA2G2A (0.33) | — | |
| SCHEMBL25794204 | 0.74 | ALOX5 (0.36) | — | |
| SCHEMBL25676423 | 0.73 | ALOX5 (0.31) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-4015515-A1 | HETEROCYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE COMPRISING SAME | LT Materials Co., Ltd. (KR) | 2022-06-22 | — | — | EP | disclosed |