⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL12898438 | 0.83 | — | — | |
| SCHEMBL12898523 | 0.83 | — | — | |
| SCHEMBL12898466 | 0.81 | — | — | |
| SCHEMBL12898497 | 0.79 | — | — | |
| SCHEMBL12898550 | 0.79 | — | — | |
| SCHEMBL12898436 | 0.72 | — | — | |
| SCHEMBL12898457 | 0.71 | — | — | |
| SCHEMBL12898461 | 0.71 | — | — | |
| SCHEMBL705827 | 0.71 | ALDH1A1 (0.35) | — | |
| SCHEMBL703725 | 0.71 | ALDH1A1 (0.35) | — |
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-8906990-B2 | Surface treatment agent for galvanized steel sheets, galvanized steel sheets and production methods thereof | HENKEL AG & CO. KGAA (DE) | 2014-12-09 | — | — | US | disclosed |
| US-20110281118-A1 | SURFACE TREATMENT AGENT FOR GALVANIZED STEEL SHEETS, GALVANIZED STEEL SHEETS AND PRODUCTION METHODS THEREOF | HENKEL AG & CO. KGAA | 2011-11-17 | — | — | US | disclosed |