⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL11242592 | 0.72 | — | — | |
| SCHEMBL11428312 | 0.67 | ALDH1A1 (0.50) | — | |
| SCHEMBL11246340 | 0.66 | HTR1A (0.36) | — | |
| SCHEMBL11242596 | 0.66 | — | — | |
| SCHEMBL16139489 | 0.63 | L3MBTL1 (0.48) | — | |
| SCHEMBL9166733 | 0.63 | — | — | |
| SCHEMBL11248887 | 0.63 | — | — | |
| SCHEMBL1106620 | 0.61 | TSHR (0.32) | — | |
| SCHEMBL15802623 | 0.61 | MAPT (0.42) | — | |
| SCHEMBL13814115 | 0.60 | KDM4E (0.44) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-4323517-A | ANTIPHLOGISTIC AGENTS | TROPONWERKE GMBH & CO. KG (DE) | 1982-04-06 | — | — | US | disclosed |
| US-4246278-A | ANTIINFLAMMATORY SULFUR-CONTAINING ORGANIC ACIDS OR ESTERS OR THIOATES | BAYER AKTIENGESELLSCHAFT (DE) | 1981-01-20 | — | — | US | disclosed |
| EP-0002219-B1 | MEDICINES WITH SULFUR CONTAINING ESTERS, AND THEIR PREPARATION | Troponwerke GmbH & Co. KG (DE) | 1980-12-10 | — | — | EP | disclosed |
| EP-0002219-A1 | Medicines with sulfur containing esters, and their preparation | Troponwerke GmbH & Co. KG (DE) | 1979-06-13 | — | — | EP | disclosed |