⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL675123 | 1.00 | — | — | |
| SCHEMBL3475260 | 1.00 | — | — | |
| SCHEMBL9286503 | 0.77 | — | — | |
| SCHEMBL4040311 | 0.75 | — | — | |
| SCHEMBL737214 | 0.72 | TSHR (0.44) | — | |
| SCHEMBL56356 | 0.72 | — | — | |
| SCHEMBL2575567 | 0.71 | — | — | |
| SCHEMBL10403578 | 0.69 | — | — | |
| SCHEMBL10402451 | 0.69 | — | — | |
| SCHEMBL6738125 | 0.69 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2015023958-A1 | TOLL-LIKE RECEPTOR AGONISTS | THE UNIVERSITY OF KANSAS (US) | 2015-02-19 | — | — | WO | disclosed |