⚠ 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 | |
|---|---|---|---|---|
| Bromide SCHEMBL8481011 | 0.97 | — | — | |
| SCHEMBL28185116 | 0.75 | — | — | |
| SCHEMBL7111031 | 0.69 | — | — | |
| Ammonia Solution, Strong SCHEMBL197463 | 0.69 | — | — | |
| SCHEMBL4392820 | 0.67 | — | — | |
| SCHEMBL9489569 | 0.65 | — | — | |
| Ammonia Solution, Strong SCHEMBL28381609 | 0.65 | — | — | |
| Ammonia Solution, Strong SCHEMBL4407959 | 0.65 | — | — | |
| Ammonia Solution, Strong SCHEMBL11717158 | 0.65 | — | — | |
| SCHEMBL654405 | 0.65 | — | — |
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-1999011630-A1 | SUBSTITUTED TETRAHYDRO-PYRIMIDINE-2(1H)-THIONE HDL-C ELEVATORS USEFUL AS ANTIATHEROSCLEROTIC AGENTS | AMERICAN HOME PRODUCTS CORPORATION (US) | 1999-03-11 | — | — | WO | disclosed |