⚠ 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 | 0.88 | — | — | |
| SCHEMBL17676244 | 0.82 | YWHAZ (0.32) | — | |
| SCHEMBL16472987 | 0.76 | — | — | |
| SCHEMBL16472983 | 0.73 | — | — | |
| SCHEMBL16472988 | 0.72 | — | — | |
| SCHEMBL16472986 | 0.68 | — | — | |
| SCHEMBL15334664 | 0.65 | — | — | |
| SCHEMBL18589186 | 0.62 | CYP2D6 (0.35) | — | |
| SCHEMBL17794540 | 0.60 | MEN1 (0.33) | — | |
| SCHEMBL13772549 | 0.60 | MEN1 (0.33) | — |
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 1 patent. 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 |