⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5686826 | 0.72 | — | — | |
| SCHEMBL5197934 | 0.72 | — | — | |
| SCHEMBL7141375 | 0.72 | — | — | |
| SCHEMBL8005371 | 0.72 | — | — | |
| SCHEMBL5197508 | 0.72 | — | — | |
| Water SCHEMBL11312398 | 0.69 | — | — | |
| Ammonia Solution, Strong SCHEMBL29128706 | 0.69 | — | — | |
| SCHEMBL15104476 | 0.67 | — | — | |
| SCHEMBL14534429 | 0.67 | — | — | |
| Benzene SCHEMBL10352412 | 0.65 | CYP1A2 (0.33) | — |
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-6340687-B1 | ELEVATE HIGH DENSITY LIPOPROTEIN CHOLESTEROL CONCENTRATION | AMERICAN HOME PRODUCTS CORPORATION | 2002-01-22 | — | — | US | disclosed |
| 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 |