⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL22945581 | 0.89 | ALOX5 (0.32) | — | |
| SCHEMBL22945286 | 0.88 | PDE6D (0.30) | — | |
| SCHEMBL22946121 | 0.88 | PRKDC (0.35) | — | |
| SCHEMBL22945740 | 0.86 | — | — | |
| SCHEMBL22945213 | 0.82 | ALOX5 (0.34) | — | |
| SCHEMBL22945060 | 0.82 | PDE6D (0.37) | — | |
| SCHEMBL22944791 | 0.82 | PRKDC (0.39) | — | |
| SCHEMBL22945547 | 0.82 | PDE6D (0.42) | — | |
| SCHEMBL26736888 | 0.81 | PDE6D (0.39) | — | |
| SCHEMBL21515571 | 0.81 | PDE6D (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 |
|---|---|---|---|---|---|---|---|
| US-20210036236-A1 | COMPOUND AND ORGANIC LIGHT EMITTING DIODE COMPRISING SAME | LG CHEM, LTD. (KR) | 2021-02-04 | — | — | US | disclosed |