⚠ 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 | |
|---|---|---|---|---|
| Perchlorate SCHEMBL5078158 | 0.88 | — | — | |
| Perchlorate SCHEMBL3027758 | 0.77 | — | — | |
| Perchlorate SCHEMBL30575115 | 0.77 | — | — | |
| Perchlorate SCHEMBL3298579 | 0.72 | — | — | |
| Perchlorate SCHEMBL4895327 | 0.72 | — | — | |
| Perchlorate SCHEMBL2330370 | 0.71 | — | — | |
| Perchlorate SCHEMBL1609513 | 0.71 | — | — | |
| Perchlorate SCHEMBL2907271 | 0.71 | — | — | |
| Perchlorate SCHEMBL8143104 | 0.71 | — | — | |
| Isopropylamine SCHEMBL3988067 | 0.71 | — | — |
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-4345982-A | Process for the production of hydrogen utilizing a photogalvanic effect of a polyacid ion | TOKYO INSTITUTE OF TECHNOLOGY (JP) | 1982-08-24 | — | — | US | disclosed |