⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7108937 | 1.00 | — | — | |
| SCHEMBL2359540 | 1.00 | — | — | |
| SCHEMBL154501 | 0.71 | — | — | |
| SCHEMBL10654249 | 0.71 | — | — | |
| SCHEMBL19097695 | 0.58 | — | — | |
| SCHEMBL25396888 | 0.00 | — | — | |
| SCHEMBL25438576 | 0.00 | — | — | |
| Water SCHEMBL25437472 | 0.00 | — | — | |
| Methane SCHEMBL23929073 | 0.00 | — | — | |
| SCHEMBL25436537 | 0.00 | — | — |
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-4431613-A | OXIDATIVE SULFATION USING STOICHIOMETRIC AMOUNT OF AQUEOUS SULFURI | NATIONAL INSTITUTE FOR METALLURGY (ZA) | 1984-02-14 | — | — | US | disclosed |