⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1130050 | 0.95 | SMN1; SMN2 (0.32) | — | |
| SCHEMBL1130684 | 0.88 | — | — | |
| SCHEMBL1130285 | 0.81 | SMN1; SMN2 (0.32) | — | |
| SCHEMBL1130206 | 0.73 | — | — | |
| SCHEMBL1130263 | 0.70 | — | — | |
| SCHEMBL6906021 | 0.70 | MEN1 (0.31) | — | |
| SCHEMBL103781 | 0.69 | MEN1 (0.36) | — | |
| SCHEMBL106987 | 0.66 | EPHX2 (0.35) | — | |
| SCHEMBL6902798 | 0.66 | — | — | |
| SCHEMBL6908342 | 0.66 | — | — |
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-1315734-A1 | HYDROCARBON CORE POLYSULFIDE SILANE COUPLING AGENTS FOR FILLED ELASTOMER COMPOSITIONS | Crompton Corporation (US) | 2003-06-04 | — | — | EP | disclosed |
| WO-2002020534-A1 | HYDROCARBON CORE POLYSULFIDE SILANE COUPLING AGENTS FOR FILLED ELASTOMER COMPOSITIONS | CROMPTON CORPORATION (US) | 2002-03-14 | — | — | WO | disclosed |