⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL31404241 | 0.69 | — | — | |
| SCHEMBL20015346 | 0.68 | — | — | |
| SCHEMBL28558133 | 0.66 | — | — | |
| SCHEMBL31451728 | 0.65 | NOS2 (0.39) | — | |
| SCHEMBL19262326 | 0.65 | — | — | |
| SCHEMBL1782950 | 0.63 | — | — | |
| SCHEMBL2035575 | 0.63 | MAPT (0.42) | — | |
| SCHEMBL1521685 | 0.63 | — | — | |
| SCHEMBL4943501 | 0.63 | — | — | |
| SCHEMBL5159437 | 0.63 | — | — |
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-8569346-B1 | Thiazoline ring compounds as botulinum antagonists | BIOMADISON, INC. (US) | 2013-10-29 | — | — | US | disclosed |
| US-8569346-B1 | Thiazoline ring compounds as botulinum antagonists | BIOMADISON, INC. (US) | 2013-10-29 | — | — | US | disclosed |