⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7476084 | 0.74 | — | — | |
| SCHEMBL7473176 | 0.68 | F13A1 (0.38) | — | |
| SCHEMBL8674657 | 0.66 | F13A1 (0.39) | — | |
| SCHEMBL3621581 | 0.64 | — | — | |
| SCHEMBL5044966 | 0.58 | IDO1 (0.36) | — | |
| SCHEMBL30226471 | 0.58 | — | — | |
| SCHEMBL3459509 | 0.58 | IDO1 (0.51) | — | |
| SCHEMBL157047 | 0.58 | EGLN2 (0.40) | — | |
| SCHEMBL14638753 | 0.58 | ADORA3 (0.44) | — | |
| SCHEMBL3621583 | 0.56 | — | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0883622-B1 | PROTON PUMP INHIBITOR | APOTEX INC (CA) | 2002-05-15 | — | — | EP | disclosed |
| US-6114537-A | 1,2,4-THIADIAZOLE COMPOUND IS USEFUL FOR TRAPPING THIOL COMPOUNDS AND SELECTIVELY CHANGING THIOLS TO DISULFIDE COMPOUNDS | APOTEX INC. (CA) | 2000-09-05 | — | — | US | disclosed |
| US-6093738-A | IMIDAZO(1,2-D)-THIADIAZOLE COMPOUNDS; PEPTIC ULCER TREATMENT | KARIMIAN KHASHAYAR (CA) | 2000-07-25 | — | — | US | disclosed |
| US-5677302-A | Thiadiazole compounds useful as proton pump inhibitors | APOTEX INC. (CA) | 1997-10-14 | — | — | US | disclosed |