⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL20080301 | 0.79 | — | — | |
| SCHEMBL20080277 | 0.69 | — | — | |
| SCHEMBL16864140 | 0.67 | ALDH1A1 (0.40) | — | |
| SCHEMBL23479410 | 0.66 | — | — | |
| SCHEMBL5582405 | 0.64 | MEN1 (0.43) | — | |
| SCHEMBL21698956 | 0.64 | GP6 (0.30) | — | |
| SCHEMBL24594488 | 0.64 | — | — | |
| SCHEMBL24520970 | 0.63 | — | — | |
| SCHEMBL25525245 | 0.63 | ALDH1A1 (0.33) | — | |
| SCHEMBL20080324 | 0.63 | HPGDS (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 |
|---|---|---|---|---|---|---|---|
| EP-2995616-B1 | HETERO RING COMPOUND AND ORGANIC LIGHT EMITTING DIODE COMPRISING SAME | LG CHEMICAL LTD (KR) | 2018-04-25 | — | — | EP | disclosed |