⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7136453 | 0.81 | L3MBTL1 (0.31) | — | |
| SCHEMBL7137280 | 0.72 | TLR4 (0.35) | — | |
| SCHEMBL7137272 | 0.72 | TLR4 (0.35) | — | |
| SCHEMBL7139256 | 0.72 | ASGR1 (0.31) | — | |
| SCHEMBL7140242 | 0.70 | — | — | |
| SCHEMBL7141794 | 0.70 | TLR4 (0.35) | — | |
| SCHEMBL7141796 | 0.69 | TLR4 (0.32) | — | |
| SCHEMBL12371571 | 0.69 | TLR4 (0.43) | — | |
| SCHEMBL12371574 | 0.69 | TLR4 (0.51) | — | |
| SCHEMBL7136889 | 0.68 | SLC5A1 (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-6511965-B2 | For therapy and prophylaxis of inflammatory disorders, autoimmune diseases or septicemia | SANKYO COMPANY, LIMITED (JP) | 2003-01-28 | — | — | US | disclosed |
| US-20020161221-A1 | Ether type lipid a 1-carboxylic acid analogs | SANKYO COMPANY, LIMITED (JP) | 2002-10-31 | — | — | US | disclosed |
| EP-1152007-A1 | ETHER TYPE LIPID A1-CARBOXYLIC ACID ANALOGUES | Sankyo Company, Limited (JP) | 2001-11-07 | — | — | EP | disclosed |