⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL11055697 | 1.00 | — | — | |
| SCHEMBL27733610 | 1.00 | — | — | |
| SCHEMBL30275 | 1.00 | — | — | |
| SCHEMBL28350039 | 1.00 | — | — | |
| SCHEMBL23040956 | 0.82 | — | — | |
| SCHEMBL1032999 | 0.82 | — | — | |
| Water SCHEMBL3414419 | 0.82 | — | — | |
| SCHEMBL9331111 | 0.82 | — | — | |
| SCHEMBL10397144 | 0.82 | — | — | |
| SCHEMBL184428 | 0.82 | — | — |
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-6033552-A | Method for purification of natrium sulphate | KHALEMSKY ARON MIKHAILOVICH (RU) | 2000-03-07 | — | — | US | disclosed |