⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL22964981 | 0.85 | — | — | |
| SCHEMBL31072240 | 0.74 | MEN1 (0.32) | — | |
| SCHEMBL22964982 | 0.72 | — | — | |
| SCHEMBL22964937 | 0.71 | NPC1 (0.35) | — | |
| SCHEMBL22964936 | 0.65 | HSP90AA1 (0.39) | — | |
| SCHEMBL22964987 | 0.61 | CYP3A4 (0.40) | — | |
| SCHEMBL7900984 | 0.59 | ESR1 (0.43) | — | |
| SCHEMBL18257431 | 0.55 | ALDH1A1 (0.37) | — | |
| SCHEMBL988384 | 0.54 | NR1H2 (0.48) | — | |
| SCHEMBL5174895 | 0.53 | CYP1A2 (0.54) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-20210040129-A1 | ORGANIC ELECTROLUMINESCENT MATERIALS AND DEVICES | UNIVERSAL DISPLAY CORPORATION (US) | 2021-02-11 | — | — | US | disclosed |