⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL29068711 | 0.86 | — | — | |
| SCHEMBL4901795 | 0.83 | TSHR (0.50) | — | |
| SCHEMBL3814841 | 0.83 | — | — | |
| SCHEMBL5606390 | 0.83 | — | — | |
| SCHEMBL10862 | 0.83 | — | — | |
| SCHEMBL2430668 | 0.83 | TSHR (0.50) | — | |
| SCHEMBL4950820 | 0.83 | TSHR (0.50) | — | |
| SCHEMBL3360847 | 0.80 | — | — | |
| Methoxymethane SCHEMBL11593979 | 0.80 | — | — | |
| Hydrogen Sulfide SCHEMBL6569480 | 0.79 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-107709236-A | Aeroge, the manufacture method using the component of the aeroge and the aeroge | 松下知识产权经营株式会社 | 2018-02-16 | — | — | CN | claimed |