⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7454166 | 0.82 | — | — | |
| 1,2-Dibromoethane SCHEMBL27860872 | 0.78 | — | — | |
| SCHEMBL12928603 | 0.75 | — | — | |
| SCHEMBL29186079 | 0.73 | SLC22A6 (0.39) | — | |
| SCHEMBL4695300 | 0.73 | — | — | |
| SCHEMBL11253246 | 0.73 | — | — | |
| SCHEMBL2397929 | 0.71 | — | — | |
| SCHEMBL4811015 | 0.71 | HDAC3 (0.43) | — | |
| SCHEMBL7388833 | 0.69 | — | — | |
| SCHEMBL1662210 | 0.69 | OXER1 (0.30) | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2004043366-A2 | SULFONAMIDES | SMITHKLINE BEECHAM CORPORATION (US) | 2004-05-27 | — | — | WO | disclosed |
| US-5041653-A | Antitumor agents | SRI INTERNATIONAL (US) | 1991-08-20 | — | — | US | disclosed |
| US-5032617-A | Antitumor agents | SRI INTERNATIONAL (US) | 1991-07-16 | — | — | US | disclosed |