⚠ 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 | |
|---|---|---|---|---|
| Phosphine SCHEMBL28449233 | 0.96 | — | — | |
| SCHEMBL9040376 | 0.96 | SLC22A2 (0.47) | — | |
| SCHEMBL27002 | 0.96 | — | — | |
| Hydrochloric Acid SCHEMBL547128 | 0.92 | — | — | |
| Water SCHEMBL20339640 | 0.92 | SLC22A2 (0.45) | — | |
| SCHEMBL20339639 | 0.92 | SLC22A2 (0.45) | — | |
| Fluoride SCHEMBL21633960 | 0.92 | SLC22A2 (0.45) | — | |
| Iodide SCHEMBL11870879 | 0.92 | SLC22A2 (0.45) | — | |
| Ethane SCHEMBL22264538 | 0.92 | — | — | |
| SCHEMBL20543430 | 0.92 | — | — |
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-4414842-A | Ion exchange chromatography with indirect photometric detection | THE DOW CHEMICAL COMPANY (US) | 1983-11-15 | — | — | US | disclosed |