⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL16472992 | 0.83 | — | — | |
| SCHEMBL16472982 | 0.77 | — | — | |
| SCHEMBL17549090 | 0.73 | — | — | |
| SCHEMBL17549092 | 0.72 | — | — | |
| SCHEMBL17549091 | 0.72 | — | — | |
| SCHEMBL17549045 | 0.72 | — | — | |
| SCHEMBL17549087 | 0.72 | CYP2D6 (0.34) | — | |
| SCHEMBL17549044 | 0.71 | CYP2D6 (0.31) | — | |
| SCHEMBL17549098 | 0.70 | SLC6A2 (0.38) | — | |
| SCHEMBL17549094 | 0.70 | LGALS3 (0.35) | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-9309276-B2 | Synthetic lipid A derivative | UNIVERSITY OF GEORGIA RESEARCH FOUNDATION, INC. (US) | 2016-04-12 | — | — | US | disclosed |
| US-20140011987-A1 | Synthetic Lipid A Derivative | UNIVERSITY OF GEORGIA RESEARCH FOUNDATION, INC. (US) | 2014-01-09 | — | — | US | disclosed |