⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3328286 | 0.81 | — | — | |
| SCHEMBL3080784 | 0.78 | — | — | |
| SCHEMBL9704948 | 0.78 | — | — | |
| SCHEMBL9247348 | 0.78 | — | — | |
| SCHEMBL238092 | 0.77 | — | — | |
| SCHEMBL2106683 | 0.77 | — | — | |
| SCHEMBL11327636 | 0.77 | — | — | |
| SCHEMBL182009 | 0.76 | — | — | |
| SCHEMBL5227550 | 0.75 | — | — | |
| SCHEMBL3622646 | 0.74 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2008077170-A2 | BENZOTHIOAMIDES, AND USE THEREOF FOR RELAXING SMOOTH MUSCLES | Universität Wien (AT) | 2008-07-03 | — | — | WO | disclosed |