⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL11048994 | 0.78 | — | — | |
| SCHEMBL1032617 | 0.76 | — | — | |
| SCHEMBL11046984 | 0.76 | — | — | |
| SCHEMBL11044213 | 0.69 | — | — | |
| Trimethylammonium SCHEMBL27919110 | 0.66 | — | — | |
| SCHEMBL11053145 | 0.62 | — | — | |
| SCHEMBL3270647 | 0.62 | — | — | |
| SCHEMBL4914754 | 0.62 | — | — | |
| Hydrochloric Acid SCHEMBL11586598 | 0.60 | CA2 (0.43) | — | |
| SCHEMBL113460 | 0.60 | — | — |
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-4426335-A | Process for making phosphorus derivatives of aminothiomethylcarbamates | THE UPJOHN COMPANY (US) | 1984-01-17 | — | — | US | disclosed |