⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL11246603 | 0.68 | — | — | |
| SCHEMBL2140515 | 0.61 | — | — | |
| SCHEMBL17305005 | 0.57 | — | — | |
| SCHEMBL16185252 | 0.57 | — | — | |
| SCHEMBL2790253 | 0.57 | — | — | |
| SCHEMBL257420 | 0.57 | — | — | |
| SCHEMBL3699868 | 0.54 | — | — | |
| SCHEMBL2608979 | 0.54 | — | — | |
| SCHEMBL10296436 | 0.54 | — | — | |
| SCHEMBL18588955 | 0.54 | — | — |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7700595-B2 | such as 3-benzyl-4-phenyl-8-(trifluoromethyl)cinnoline; modulators of Liver X receptors (LXRs) | WYETH LLC (US) | 2010-04-20 | — | — | US | disclosed |
| US-7674822-B2 | protein tyrosine phosphatase 1B (PTP1B) modulators; type 2 diabetes, obesity; increasing insulin sensitivity; 1-Carboxymethoxy-3,8-dithia-cyclopenta[a]indene-2-carboxylic acid | WYETH (US) | 2010-03-09 | — | — | US | disclosed |
| EP-1853566-A1 | CINNOLINE COMPOUNDS AND THEIR USE AS LIVER X RECEPTOR MODULATORS | Wyeth (US) | 2007-11-14 | — | — | EP | disclosed |
| US-20060252757-A1 | Cinnoline compounds | WYETH | 2006-11-09 | — | — | US | disclosed |
| WO-2006094034-A1 | CINNOLINE COMPOUNDS AND THEIR USE AS LIVER X RECEPTOR MODILATORS | WYETH (US) | 2006-09-08 | — | — | WO | disclosed |
| US-20060135488-A1 | protein tyrosine phosphatase 1B (PTP1B) modulators; type 2 diabetes, obesity; increasing insulin sensitivity; 1-Carboxymethoxy-3,8-dithia-cyclopenta[a]indene-2-carboxylic acid | WYETH | 2006-06-22 | — | — | US | disclosed |
| US-4332614-A | HALOACETANILIDE ETHERS | MONSANTO COMPANY (US) | 1982-06-01 | — | — | US | disclosed |