⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL22311288 | 0.95 | — | — | |
| SCHEMBL22311286 | 0.91 | TSHR (0.31) | — | |
| SCHEMBL25048814 | 0.90 | — | — | |
| SCHEMBL23738210 | 0.90 | — | — | |
| SCHEMBL22311318 | 0.89 | NPC1 (0.31) | — | |
| SCHEMBL23738361 | 0.89 | SIRT2 (0.33) | — | |
| SCHEMBL22311726 | 0.88 | BRDT (0.30) | — | |
| SCHEMBL23736882 | 0.88 | — | — | |
| SCHEMBL23736589 | 0.88 | PRKDC (0.31) | — | |
| SCHEMBL23737764 | 0.88 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-20230049674-A1 | ORGANIC LIGHT EMITTING DEVICE | LG CHEM, LTD. (KR) | 2023-02-16 | — | — | US | disclosed |