⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL709340 | 0.91 | HDAC3 (0.31) | — | |
| SCHEMBL711524 | 0.81 | INPP5A (0.30) | — | |
| SCHEMBL710525 | 0.81 | INPP5A (0.30) | — | |
| SCHEMBL671996 | 0.81 | INPP5A (0.30) | — | |
| SCHEMBL711525 | 0.81 | INPP5A (0.30) | — | |
| SCHEMBL14889491 | 0.81 | INPP5A (0.30) | — | |
| SCHEMBL23493608 | 0.77 | INPP5A (0.32) | — | |
| SCHEMBL13496273 | 0.77 | SIGMAR1 (0.40) | — | |
| SCHEMBL308349 | 0.77 | — | — | |
| SCHEMBL28811704 | 0.75 | — | — |
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-8846170-B2 | Sulfur-containing cycloaliphatic compound, filled sulfur-vulcanizable elastomer composition containing sulfur-containing cycloaliphatic compound and articles fabricated therefrom | MOMENTIVE PERFORMANCE MATERIALS INC. (US) | 2014-09-30 | — | — | US | claimed |
| US-20120116002-A1 | SULFUR-CONTAINING CYCLOALIPHATIC COMPOUND, FILLED SULFUR-VULCANIZABLE ELASTOMER COMPOSITION CONTAINING SULFUR-CONTAINING CYCLOALIPHATIC COMPOUND AND ARTICLES FABRICATED THEREFROM | MOMENTIVE PERFORMANCE MATERICALS INC. (US) | 2012-05-10 | — | — | US | claimed |