⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7084807 | 0.87 | — | — | |
| SCHEMBL7080985 | 0.87 | — | — | |
| SCHEMBL7084832 | 0.86 | — | — | |
| SCHEMBL13296144 | 0.86 | — | — | |
| SCHEMBL13765697 | 0.82 | — | — | |
| SCHEMBL7567431 | 0.81 | NLRP3 (0.62) | — | |
| SCHEMBL9317402 | 0.81 | — | — | |
| SCHEMBL7082105 | 0.80 | NLRP3 (0.50) | — | |
| SCHEMBL9386678 | 0.80 | NLRP3 (0.47) | — | |
| SCHEMBL14375722 | 0.80 | — | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20030134898-A1 | Dual inhibitors of wax ester and cholesteryl ester synthesis for inhibiting sebum production | HOMAN REYNOLD (US) | 2003-07-17 | — | — | US | claimed |
| EP-1281399-A2 | Dual inhibitors of wax ester and cholesteryl ester synthesis for inhibiting sebum production | WARNER-LAMBERT COMPANY (US) | 2003-02-05 | — | — | EP | claimed |
| US-20030134898-A1 | Dual inhibitors of wax ester and cholesteryl ester synthesis for inhibiting sebum production | HOMAN REYNOLD (US) | 2003-07-17 | — | — | US | disclosed |
| EP-1281399-A2 | Dual inhibitors of wax ester and cholesteryl ester synthesis for inhibiting sebum production | WARNER-LAMBERT COMPANY (US) | 2003-02-05 | — | — | EP | disclosed |