⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9320860 | 0.75 | — | — | |
| SCHEMBL6166991 | 0.66 | NFKB1 (0.30) | — | |
| SCHEMBL28251158 | 0.64 | — | — | |
| SCHEMBL3813725 | 0.60 | — | — | |
| SCHEMBL596555 | 0.60 | — | — | |
| SCHEMBL3389211 | 0.59 | — | — | |
| SCHEMBL8773565 | 0.59 | — | — | |
| SCHEMBL9507463 | 0.59 | — | — | |
| SCHEMBL10828114 | 0.59 | — | — | |
| SCHEMBL9506482 | 0.59 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-20030054103-A1 | Curable coating composition, curable ink, printing method thereof and printed matter | TOYO INK MFG. CO., LTD. (JP) | 2003-03-20 | — | — | US | disclosed |