⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL31043 | 0.82 | — | — | |
| SCHEMBL144514 | 0.82 | — | — | |
| SCHEMBL6858478 | 0.82 | — | — | |
| SCHEMBL441149 | 0.82 | — | — | |
| SCHEMBL11297280 | 0.67 | — | — | |
| Hydrogen Sulfide SCHEMBL10749495 | 0.67 | OXTR (0.33) | — | |
| Water SCHEMBL4320361 | 0.67 | — | — | |
| Hydrogen Sulfide SCHEMBL16650114 | 0.67 | — | — | |
| SCHEMBL6448864 | 0.67 | — | — | |
| SCHEMBL5535199 | 0.67 | — | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-101714623-B | Active material and method of manufacturing active material | TDK CORP | 2014-11-19 | — | — | CN | disclosed |
| US-8821763-B2 | Active material and method of manufacturing active material | TDK CORPORATION (JP) | 2014-09-02 | — | — | US | disclosed |
| US-20100078591-A1 | ACTIVE MATERIAL AND METHOD OF MANUFACTURING ACTIVE MATERIAL | TDK CORPORATION (JP) | 2010-04-01 | — | — | US | disclosed |