⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL11306885 | 0.83 | — | — | |
| Hydrochloric Acid SCHEMBL6105064 | 0.81 | KDM4E (0.42) | — | |
| SCHEMBL14000200 | 0.81 | CYP1A2 (0.41) | — | |
| Hydrochloric Acid SCHEMBL6595181 | 0.79 | CYP1A2 (0.40) | — | |
| SCHEMBL20572493 | 0.77 | — | — | |
| SCHEMBL5728422 | 0.77 | — | — | |
| SCHEMBL5092314 | 0.74 | — | — | |
| SCHEMBL12223563 | 0.74 | — | — | |
| SCHEMBL20267035 | 0.74 | — | — | |
| SCHEMBL9093349 | 0.72 | CTSL (0.39) | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5705650-A | Process for preparing 1,2,4-thiadiazole derivatives | KATAYAMA SEIYAKUSYO CO., LTD. (JP) | 1998-01-06 | — | — | US | disclosed |
| US-5585494-A | Process for preparing 1,2,4-thiadiazole derivatives | KATAYAMA SEIYAKUSYO CO. LTD. (JP) | 1996-12-17 | — | — | US | disclosed |
| EP-0536900-A2 | Process for preparing 1,2,4-Thiadiazole Derivatives | KATAYAMA SEIYAKUSYO CO. Ltd. (JP) | 1993-04-14 | — | — | EP | disclosed |