⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1540946 | 0.95 | — | — | |
| SCHEMBL31727565 | 0.95 | — | — | |
| SCHEMBL22823872 | 0.95 | — | — | |
| SCHEMBL231562 | 0.95 | — | — | |
| SCHEMBL6094253 | 0.90 | — | — | |
| Hydrochloric Acid SCHEMBL4824565 | 0.90 | CCR5 (0.90) | — | |
| Bromide SCHEMBL3714716 | 0.90 | CCR5 (0.90) | — | |
| Hydrochloric Acid SCHEMBL4829332 | 0.90 | — | — | |
| Nitric Oxide SCHEMBL6095520 | 0.82 | CCR5 (0.75) | — | |
| SCHEMBL879636 | 0.82 | — | — |
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-105916853-B | 2,6- substituted purin derivatives and its purposes in treating proliferative diseases | 辉瑞公司 | 2018-07-27 | — | — | CN | disclosed |
| CN-107614505-A | New bicyclo compound as dual ATX/CA inhibitor | 豪夫迈·罗氏有限公司 | 2018-01-19 | — | — | CN | disclosed |