⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL30970868 | 0.78 | — | — | |
| SCHEMBL1845752 | 0.77 | — | — | |
| Hydrochloric Acid SCHEMBL28009124 | 0.74 | — | — | |
| SCHEMBL28726380 | 0.70 | — | — | |
| SCHEMBL14014525 | 0.69 | — | — | |
| SCHEMBL12570743 | 0.69 | — | — | |
| SCHEMBL324650 | 0.68 | — | — | |
| SCHEMBL19674886 | 0.67 | — | — | |
| SCHEMBL20865534 | 0.67 | CHRNB2 (0.30) | — | |
| SCHEMBL28273085 | 0.66 | — | — |
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-2024222865-A1 | COMPOUND AS CCR6 ANTAGONIST, AND PHARMACEUTICAL COMPOSITION AND USE THEREOF | 武汉朗来科技发展有限公司 | 2024-10-31 | — | — | WO | disclosed |