⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL22767009 | 0.93 | — | — | |
| SCHEMBL22766878 | 0.90 | RPA1 (0.30) | — | |
| SCHEMBL22767132 | 0.89 | PRKDC (0.33) | — | |
| SCHEMBL22767112 | 0.88 | SIRT2 (0.32) | — | |
| SCHEMBL22762392 | 0.88 | ALOX5 (0.33) | — | |
| SCHEMBL22766857 | 0.88 | — | — | |
| SCHEMBL22767189 | 0.88 | — | — | |
| SCHEMBL22767119 | 0.87 | S1PR4 (0.30) | — | |
| SCHEMBL22767159 | 0.87 | — | — | |
| SCHEMBL22762446 | 0.86 | SIRT2 (0.35) | — |
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-2020246837-A1 | NOVEL COMPOUND AND ORGANIC LIGHT EMITTING DEVICE COMPRISING SAME | 주식회사 엘지화학 | 2020-12-10 | — | — | WO | disclosed |