⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2706662 | 0.80 | — | — | |
| SCHEMBL23976012 | 0.80 | — | — | |
| SCHEMBL18804431 | 0.75 | — | — | |
| SCHEMBL18804399 | 0.75 | TSHR (0.35) | — | |
| SCHEMBL18804391 | 0.74 | — | — | |
| SCHEMBL18804455 | 0.74 | — | — | |
| SCHEMBL18804402 | 0.71 | — | — | |
| SCHEMBL18804454 | 0.69 | TSHR (0.30) | — | |
| SCHEMBL2236919 | 0.67 | — | — | |
| SCHEMBL24002909 | 0.65 | — | — |
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-20170121358-A1 | ALKOXIDE COMPOUND, RAW MATERIAL FOR FORMING THIN FILM, METHOD FOR MANUFACTURING THIN FILM, AND ALCOHOL COMPOUND | ADEKA CORPORATION (JP) | 2017-05-04 | — | — | US | disclosed |