⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL10372116 | 0.68 | NQO1 (0.31) | — | |
| SCHEMBL10581081 | 0.63 | — | — | |
| SCHEMBL19474632 | 0.61 | — | — | |
| SCHEMBL19472118 | 0.61 | NQO1 (0.33) | — | |
| SCHEMBL11576488 | 0.60 | — | — | |
| SCHEMBL2338953 | 0.60 | — | — | |
| SCHEMBL7839774 | 0.58 | — | — | |
| SCHEMBL10910251 | 0.57 | — | — | |
| SCHEMBL6775000 | 0.57 | — | — | |
| SCHEMBL19474631 | 0.56 | — | — |
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-1996031206-A2 | FLAVONES AND COUMARINS AS AGENTS FOR THE TREATMENT OF ATHEROSCLEROSIS | WARNER-LAMBERT COMPANY (US) | 1996-10-10 | — | — | WO | claimed |