⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL15609052 | 0.72 | — | — | |
| SCHEMBL11610753 | 0.62 | — | — | |
| SCHEMBL16859 | 0.61 | — | — | |
| SCHEMBL5483305 | 0.61 | ALDH1A1 (0.33) | — | |
| Iodide SCHEMBL489610 | 0.58 | — | — | |
| Iodide SCHEMBL163133 | 0.58 | — | — | |
| SCHEMBL538884 | 0.55 | — | — | |
| Methane SCHEMBL16428422 | 0.55 | — | — | |
| Bromide SCHEMBL3883769 | 0.55 | ALDH1A1 (0.30) | — | |
| Bromide SCHEMBL538883 | 0.55 | — | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-104882559-A | Organic electroluminescent device and preparing method thereof | OCEANS KING LIGHTING SCIENCE | 2015-09-02 | — | — | CN | claimed |
| CN-104882559-A | Organic electroluminescent device and preparing method thereof | OCEANS KING LIGHTING SCIENCE | 2015-09-02 | — | — | CN | disclosed |