⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8139925 | 0.78 | CAMK2A (0.34) | — | |
| SCHEMBL4524385 | 0.78 | GRIK1 (0.33) | — | |
| SCHEMBL16029326 | 0.72 | CAMK2A (0.42) | — | |
| SCHEMBL7607602 | 0.70 | CES2 (0.32) | — | |
| SCHEMBL17329075 | 0.69 | APEX1 (0.35) | — | |
| SCHEMBL158481 | 0.66 | APEX1 (0.36) | — | |
| SCHEMBL4952406 | 0.66 | CAMK2A (0.36) | — | |
| SCHEMBL8230756 | 0.66 | GRIK1 (0.33) | — | |
| SCHEMBL3634989 | 0.65 | AKR1B1 (0.39) | — | |
| SCHEMBL9868910 | 0.65 | — | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6254980-B1 | COLLOID OR MICELLE OF A SLIGHTLY WATER SOLUBLE ORGANIC CORROSION INHIBITOR AS AN ORGANIC LAYER MIXED WITH AND DISPERSED IN A MATRIX RESIN; WITHOUT USING ANY HEXAVALENT CHROMIUM | NIPPON STEEL CORPORATION (JP) | 2001-07-03 | — | — | US | disclosed |
| EP-0870549-B1 | METALLIC SHEET HAVING RUST-PREVENTIVE ORGANIC COATING THEREON, PROCESS FOR THE PRODUCTION THEREOF AND TREATING FLUID THEREFOR | NIPPON STEEL CORP (JP) | 2001-03-21 | — | — | EP | disclosed |
| EP-0870549-A1 | METALLIC SHEET HAVING RUST-PREVENTIVE ORGANIC COATING THEREON, PROCESS FOR THE PRODUCTION THEREOF AND TREATING FLUID THEREFOR | NIPPON STEEL CORPORATION (JP) | 1998-10-14 | — | — | EP | disclosed |