⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL21668697 | 0.97 | TDP2 (0.30) | — | |
| SCHEMBL26518210 | 0.90 | KDM4E (0.30) | — | |
| SCHEMBL26519371 | 0.90 | RXRA (0.32) | — | |
| SCHEMBL21668832 | 0.87 | MMP12 (0.31) | — | |
| SCHEMBL21320330 | 0.86 | L3MBTL1 (0.34) | — | |
| SCHEMBL25720307 | 0.84 | MMP12 (0.30) | — | |
| SCHEMBL21668694 | 0.84 | AKR1C4 (0.32) | — | |
| SCHEMBL21669157 | 0.84 | SRD5A2 (0.36) | — | |
| SCHEMBL21740444 | 0.84 | MMP12 (0.31) | — | |
| SCHEMBL26057050 | 0.82 | KDM4E (0.34) | — |
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-3604297-A1 | HETEROCYCLIC COMPOUND AND ORGANIC LIGHT EMITTING ELEMENT COMPRISING SAME | Heesung Material Ltd. (KR) | 2020-02-05 | — | — | EP | disclosed |