⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL19451100 | 0.78 | KDM4E (0.30) | — | |
| SCHEMBL12191506 | 0.74 | — | — | |
| SCHEMBL2345052 | 0.74 | — | — | |
| SCHEMBL12191508 | 0.74 | — | — | |
| SCHEMBL8172852 | 0.72 | — | — | |
| SCHEMBL12133368 | 0.72 | — | — | |
| SCHEMBL21187421 | 0.69 | — | — | |
| SCHEMBL9975442 | 0.69 | — | — | |
| SCHEMBL12196181 | 0.69 | TSHR (0.30) | — | |
| SCHEMBL12593588 | 0.69 | — | — |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20100081693-A1 | THIADIAZOLE COMPOUND AND USE THEREOF | SUMITOMO CHEMICAL COMPANY, LIMITED (JP) | 2010-04-01 | — | — | US | disclosed |
| EP-2061789-A2 | THIADIAZOLE COMPOUND AND USE THEREOF | Sumitomo Chemical Company, Limited (JP) | 2009-05-27 | — | — | EP | disclosed |
| WO-2008032858-A2 | THIADIAZOLE COMPOUND AND USE THEREOF | SUMITOMO CHEMICAL COMPANY, LIMITED (JP) | 2008-03-20 | — | — | WO | disclosed |
| WO-1994027992-A1 | PIPERIDINE DERIVATIVES, THEIR PREPARATION AND USE | NOVO NORDISK A/S (DK) | 1994-12-08 | — | — | WO | disclosed |
| EP-0052295-B1 | PROCESS FOR THE PREPARATION OF POLYOLS WITH AT LEAST ONE OXACYCLOPENTANE RING | CPC INTERNATIONAL INC. (US) | 1985-05-08 | — | — | EP | disclosed |