⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2180428 | 0.83 | — | — | |
| SCHEMBL17971012 | 0.78 | — | — | |
| SCHEMBL103558 | 0.77 | — | — | |
| SCHEMBL7981543 | 0.73 | — | — | |
| SCHEMBL119955 | 0.73 | — | — | |
| SCHEMBL14506031 | 0.72 | — | — | |
| SCHEMBL3115436 | 0.69 | — | — | |
| SCHEMBL3118747 | 0.69 | — | — | |
| SCHEMBL2700307 | 0.69 | TRIM24 (0.64) | — | |
| SCHEMBL7645220 | 0.69 | TRIM24 (0.64) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-0048710-A4 | PROCESS FOR PRODUCING HYDROGEN FROM WATER USING LIGHT ENERGY AND AQUEOUS COMPOSITIONS. | HERBST RALPH L JR | 1982-06-18 | — | — | EP | disclosed |
| EP-0048710-A1 | PROCESS FOR PRODUCING HYDROGEN FROM WATER USING LIGHT ENERGY AND AQUEOUS COMPOSITIONS | HERBST, Ralph L., Jr. (US) | 1982-04-07 | — | — | EP | disclosed |
| WO-1981002851-A1 | PROCESS FOR PRODUCING HYDROGEN FROM WATER USING LIGHT ENERGY AND AQUEOUS COMPOSITIONS | HERBST R | 1981-10-15 | — | — | WO | disclosed |