⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6424053 | 0.80 | — | — | |
| SCHEMBL6425566 | 0.70 | CA1 (0.31) | — | |
| SCHEMBL7809255 | 0.70 | LMNA (0.34) | — | |
| SCHEMBL1271340 | 0.68 | ADORA3 (0.50) | — | |
| SCHEMBL10511473 | 0.68 | GLP1R (0.31) | — | |
| SCHEMBL8117185 | 0.68 | — | — | |
| SCHEMBL8314911 | 0.68 | — | — | |
| SCHEMBL6420273 | 0.67 | GLP1R (0.30) | — | |
| SCHEMBL6419164 | 0.65 | — | — | |
| SCHEMBL4420842 | 0.65 | LMNA (0.35) | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2005007636-A1 | 1,2,4- THIADIAZOL-5-THIO COMPOUNDS AND THE DERIVATIVES THEREOF, METHODS FOR THE PRODUCTION THEREOF AND USE THEREOF AS UREASE AND NITRIFICATION INHIBITORS | SKW STICKSTOFFWERKE PIESTERITZ GMBH (DE) | 2005-01-27 | — | — | WO | disclosed |