⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL27941144 | 0.67 | — | — | |
| SCHEMBL18059218 | 0.62 | — | — | |
| SCHEMBL29142570 | 0.53 | — | — | |
| SCHEMBL1767793 | 0.50 | — | — | |
| SCHEMBL28391048 | 0.50 | — | — | |
| SCHEMBL27989266 | 0.50 | CREBBP (0.35) | — | |
| SCHEMBL27466446 | 0.50 | — | — | |
| SCHEMBL1767692 | 0.48 | — | — | |
| SCHEMBL27457152 | 0.47 | — | — | |
| SCHEMBL27571870 | 0.47 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-1043708-A | 5-amino-1,2, the preparation of 4-triazole-3-sulphonamide and intermediate | DOW CHEMICAL CO (US) | 1990-07-11 | — | — | CN | disclosed |