⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL23020475 | 0.83 | CYP1A2 (0.34) | — | |
| SCHEMBL25775739 | 0.81 | ABCG2 (0.34) | — | |
| SCHEMBL25023752 | 0.78 | CYP1A2 (0.38) | — | |
| SCHEMBL23020391 | 0.75 | MEN1 (0.41) | — | |
| SCHEMBL23020472 | 0.75 | MYC (0.34) | — | |
| SCHEMBL22544968 | 0.74 | ABCG2 (0.42) | — | |
| SCHEMBL23020192 | 0.74 | CYP1A2 (0.32) | — | |
| SCHEMBL23020066 | 0.73 | CYP1A2 (0.43) | — | |
| SCHEMBL23020160 | 0.72 | CYP1A2 (0.43) | — | |
| SCHEMBL25621745 | 0.71 | ESR1 (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-3392242-B1 | NOVEL HETEROCYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE USING SAME | LG CHEMICAL LTD (KR) | 2021-02-24 | — | — | EP | disclosed |