⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9343822 | 0.76 | — | — | |
| SCHEMBL1808230 | 0.75 | — | — | |
| SCHEMBL435547 | 0.75 | — | — | |
| SCHEMBL28275347 | 0.75 | — | — | |
| SCHEMBL27603283 | 0.73 | — | — | |
| SCHEMBL11175571 | 0.67 | — | — | |
| SCHEMBL11085069 | 0.66 | — | — | |
| Arsenic SCHEMBL27936189 | 0.65 | — | — | |
| Hydrazine SCHEMBL27364551 | 0.65 | KDM4E (0.34) | — | |
| Hydrochloric Acid SCHEMBL1420896 | 0.65 | — | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0958294-A1 | 2-(1,2,4-TRIAZOLE-1-YL)-1,3,4-THIADIAZOLE DERIVATIVES HAVING AN EFFECT ON THE C.N.S. AND THE HEART | EGIS GYOGYSZERGYAR (HU) | 1999-11-24 | — | — | EP | disclosed |
| WO-1998030561-A1 | 2-(1,2,4-TRIAZOLE-1-YL)-1,3,4-THIADIAZOLE DERIVATIVES HAVING AN EFFECT ON THE C.N.S. AND THE HEART | EGIS Gyógyszergyár Rt. (HU) | 1998-07-16 | — | — | WO | disclosed |