⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL12318796 | 0.83 | TRPV6 (0.33) | — | |
| SCHEMBL2404448 | 0.75 | — | — | |
| SCHEMBL16632985 | 0.56 | GPR3 (0.54) | — | |
| SCHEMBL2406507 | 0.56 | TRPV6 (0.54) | — | |
| SCHEMBL42265 | 0.53 | — | — | |
| SCHEMBL1792101 | 0.52 | CA2 (0.41) | — | |
| SCHEMBL30408508 | 0.52 | CA2 (0.41) | — | |
| SCHEMBL12271149 | 0.52 | KDM4E (0.41) | — | |
| SCHEMBL1187355 | 0.50 | — | — | |
| Magnesium Chloride Anhydrous SCHEMBL20694979 | 0.48 | ENPP2 (0.36) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-8853424-B2 | Protein cross-linking inhibitor | JAPAN SCIENCE AND TECHNOLOGY AGENCY (JP) | 2014-10-07 | — | — | US | disclosed |
| US-20110212919-A1 | PROTEIN CROSS-LINKING INHIBITOR | JAPAN SCIENCE AND TECHNOLOGY AGENCY (JP) | 2011-09-01 | — | — | US | disclosed |