⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL12976499 | 0.69 | — | — | |
| SCHEMBL1826218 | 0.67 | CYP1A2 (0.32) | — | |
| SCHEMBL27615471 | 0.65 | CYP1A2 (0.31) | — | |
| SCHEMBL22228283 | 0.65 | CYP1A2 (0.31) | — | |
| Lithium SCHEMBL29650829 | 0.65 | CYP1A2 (0.31) | — | |
| SCHEMBL20124454 | 0.62 | HTR2C (0.32) | — | |
| SCHEMBL30112264 | 0.61 | ACHE (0.30) | — | |
| SCHEMBL17571742 | 0.61 | TDP1 (0.32) | — | |
| SCHEMBL11033478 | 0.60 | — | — | |
| SCHEMBL319418 | 0.59 | CYP2A6 (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-3082173-B1 | ORGANIC LIGHT EMITTING DISPLAY DEVICE | LG DISPLAY CO LTD (KR) | 2018-05-09 | — | — | EP | disclosed |