⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL711527 | 0.77 | CYP3A4 (0.31) | — | |
| SCHEMBL11157810 | 0.77 | CYP3A4 (0.31) | — | |
| SCHEMBL713048 | 0.77 | CYP3A4 (0.31) | — | |
| SCHEMBL10248896 | 0.70 | — | — | |
| SCHEMBL723775 | 0.64 | — | — | |
| SCHEMBL25097774 | 0.63 | CYP1A2 (0.42) | — | |
| SCHEMBL18725036 | 0.62 | — | — | |
| SCHEMBL23609861 | 0.62 | — | — | |
| SCHEMBL22624732 | 0.62 | CYP1A2 (0.31) | — | |
| SCHEMBL20025611 | 0.62 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-2342274-A1 | SULFUR-CONTAINING CYCLOALI PHATIC COMPOUND, FILLED SULFUR-VULCANIZABLE ELASTOMER COMPOSITION CONTAINING SULFUR-CONTAINING CYCLOALIPHATIC COMPOUND AND ARTICLES FABRICATED THEREFROM | Momentive Performance Materials Inc. (US) | 2011-07-13 | — | — | EP | claimed |
| WO-2010059402-A1 | SULFUR-CONTAINING CYCLOALI PHATIC COMPOUND, FILLED SULFUR-VULCANIZABLE ELASTOMER COMPOSITION CONTAINING SULFUR-CONTAINING CYCLOALIPHATIC COMPOUND AND ARTICLES FABRICATED THEREFROM | MOMENTIVE PERFORMANCE MATERIALS INC. (US) | 2010-05-27 | — | — | WO | claimed |