⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL15930010 | 0.81 | — | — | |
| SCHEMBL18885201 | 0.72 | — | — | |
| SCHEMBL358401 | 0.72 | — | — | |
| Hydrochloric Acid SCHEMBL6613423 | 0.70 | CCR1 (0.31) | — | |
| SCHEMBL16043729 | 0.69 | — | — | |
| SCHEMBL16043727 | 0.69 | — | — | |
| SCHEMBL6675935 | 0.68 | — | — | |
| SCHEMBL1994826 | 0.68 | — | — | |
| SCHEMBL13654262 | 0.68 | — | — | |
| SCHEMBL7627444 | 0.67 | — | — |
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-2012155417-A1 | MOLECULAR SIEVE-LIKE METAL-DIIMIDAZOLE POLYPOROUS COORDINATION POLYMER AND PREPARATION METHOD THEREOF | 汕头大学 (CN) | 2012-11-22 | — | — | WO | disclosed |