⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL11251695 | 0.84 | CES1 (0.36) | — | |
| SCHEMBL17038880 | 0.78 | — | — | |
| SCHEMBL9325348 | 0.78 | — | — | |
| SCHEMBL11246431 | 0.75 | — | — | |
| SCHEMBL17035937 | 0.73 | — | — | |
| SCHEMBL8257596 | 0.73 | TSHR (0.50) | — | |
| SCHEMBL9857528 | 0.71 | CTSD (0.52) | — | |
| SCHEMBL11242592 | 0.70 | — | — | |
| SCHEMBL11250221 | 0.70 | CA1 (0.30) | — | |
| SCHEMBL9883913 | 0.70 | AKR1B1 (0.46) | — |
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 |
|---|---|---|---|---|---|---|---|
| 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 |