⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL21728324 | 0.86 | TDP1 (0.34) | — | |
| SCHEMBL21728424 | 0.83 | ATM (0.31) | — | |
| SCHEMBL21728228 | 0.83 | ATM (0.31) | — | |
| SCHEMBL21728301 | 0.78 | — | — | |
| SCHEMBL21728515 | 0.77 | MEN1 (0.41) | — | |
| SCHEMBL21728241 | 0.77 | MEN1 (0.39) | — | |
| SCHEMBL21728150 | 0.76 | — | — | |
| SCHEMBL21728329 | 0.75 | MEN1 (0.40) | — | |
| SCHEMBL21728325 | 0.74 | MEN1 (0.40) | — | |
| SCHEMBL21728242 | 0.74 | CYP1A1 (0.40) | — |
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-3214084-B1 | CYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING ELEMENT COMPRISING SAME | LG CHEMICAL LTD (KR) | 2020-02-19 | — | — | EP | disclosed |