⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1222699 | 1.00 | — | — | |
| SCHEMBL9595589 | 1.00 | CCR5 (0.42) | — | |
| SCHEMBL368117 | 1.00 | — | — | |
| SCHEMBL3710709 | 1.00 | — | — | |
| SCHEMBL4748801 | 0.85 | CCR5 (0.36) | — | |
| SCHEMBL4814979 | 0.85 | MBTD1 (0.33) | — | |
| SCHEMBL660910 | 0.84 | CCR5 (0.32) | — | |
| SCHEMBL64396 | 0.84 | — | — | |
| SCHEMBL1724943 | 0.84 | — | — | |
| SCHEMBL7496575 | 0.84 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-111163838-B | Methods for treating huntington's disease | PTC医疗公司 | 2023-03-28 | — | — | CN | disclosed |
| US-20080085884-A1 | Melanin Concentrating Hormone Receptor-1 Antagonist Pyridinones | PFIZER INC | 2008-04-10 | — | — | US | disclosed |