⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9202131 | 0.98 | — | — | |
| SCHEMBL11597220 | 0.79 | — | — | |
| SCHEMBL811767 | 0.73 | — | — | |
| SCHEMBL7593398 | 0.71 | — | — | |
| SCHEMBL3478339 | 0.71 | — | — | |
| SCHEMBL6130363 | 0.71 | — | — | |
| SCHEMBL30057612 | 0.70 | — | — | |
| SCHEMBL5744600 | 0.68 | ALDH1A1 (0.30) | — | |
| SCHEMBL32690230 | 0.68 | — | — | |
| Azepane SCHEMBL3969610 | 0.67 | ALDH1A1 (0.36) | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20080021031-A1 | SELENOPHENE COMPOUNDS | NATIONAL HEALTH RESEARCH INSTITUTE (TW) | 2008-01-24 | — | — | US | claimed |
| US-7803799-B2 | such as 1-(2,4-dichlorophenyl)-N-(piperidin-1-yl)-5-(selenophen-2-yl)-1H-pyrazole-3-carboxamide, used for treating cannabinoid-receptor mediated disorders selected from obesity, metabolic syndrome, drug abuse and dependence or neuropathic pain | NATIONAL HEALTH RESEARCH INSTITUTES (TW) | 2010-09-28 | — | — | US | disclosed |
| US-20080021031-A1 | SELENOPHENE COMPOUNDS | NATIONAL HEALTH RESEARCH INSTITUTE (TW) | 2008-01-24 | — | — | US | disclosed |