⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL901648 | 0.83 | — | — | |
| Dalapon SCHEMBL45164 | 0.80 | — | — | |
| Dalapon SCHEMBL4895986 | 0.80 | TSHR (0.57) | — | |
| SCHEMBL1678472 | 0.80 | TSHR (0.57) | — | |
| SCHEMBL301323 | 0.80 | — | — | |
| SCHEMBL7942825 | 0.78 | TSHR (0.40) | — | |
| Dalapon SCHEMBL4453180 | 0.77 | — | — | |
| SCHEMBL11672445 | 0.77 | TSHR (0.53) | — | |
| Dalapon SCHEMBL11048266 | 0.77 | — | — | |
| Hydrochloric Acid SCHEMBL2230995 | 0.77 | — | — |
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-1992011245-A1 | 2-ACYLAMIDO DERIVATIVES OF 3,4-DIHYDRO-3-OXO-QUINOXALINE HAVING PHARMACEUTICAL ACTIVITY | WARNER-LAMBERT COMPANY (US) | 1992-07-09 | — | — | WO | disclosed |