⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5848154 | 0.78 | MEN1 (0.31) | — | |
| SCHEMBL1950727 | 0.78 | — | — | |
| SCHEMBL48512 | 0.73 | ALDH1A1 (0.33) | — | |
| SCHEMBL601867 | 0.70 | ALDH1A1 (0.31) | — | |
| SCHEMBL15561424 | 0.70 | ALDH1A1 (0.31) | — | |
| Ammonia Solution, Strong SCHEMBL1265757 | 0.70 | ALDH1A1 (0.31) | — | |
| SCHEMBL1951617 | 0.70 | ALDH1A1 (0.31) | — | |
| SCHEMBL11124925 | 0.70 | ALDH1A1 (0.31) | — | |
| SCHEMBL11120337 | 0.70 | ALDH1A1 (0.31) | — | |
| SCHEMBL6519472 | 0.70 | ALDH1A1 (0.31) | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6653425-B1 | Addition polymerization (alkynylthiohydrocarbyl) sulfides; acetylenic homo- or copolymers; optical telecommunications | CORNING INCORPORATED | 2003-11-25 | — | — | US | disclosed |