⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL21507446 | 0.80 | ENPEP (0.41) | — | |
| SCHEMBL21507374 | 0.79 | MEN1 (0.33) | — | |
| SCHEMBL22311655 | 0.78 | MGLL (0.36) | — | |
| SCHEMBL27112440 | 0.77 | NPC1 (0.31) | — | |
| SCHEMBL20071792 | 0.76 | REN (0.36) | — | |
| SCHEMBL20072154 | 0.76 | FFAR2 (0.30) | — | |
| SCHEMBL20132313 | 0.75 | — | — | |
| SCHEMBL18849842 | 0.74 | MGLL (0.32) | — | |
| SCHEMBL17924935 | 0.74 | MGLL (0.34) | — | |
| SCHEMBL19882338 | 0.73 | TSHR (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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20170029421-A1 | TOLL-LIKE RECEPTOR-7 AND -8 MODULATORY 1H IMIDAZOQUINOLINE DERIVED COMPOUNDS | UNIV KANSAS (US) | 2017-02-02 | — | — | US | disclosed |