⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL15484259 | 0.78 | — | — | |
| SCHEMBL990913 | 0.78 | — | — | |
| SCHEMBL13589341 | 0.78 | — | — | |
| SCHEMBL7110747 | 0.78 | — | — | |
| SCHEMBL28043479 | 0.78 | — | — | |
| SCHEMBL1803846 | 0.77 | — | — | |
| SCHEMBL28020896 | 0.77 | — | — | |
| SCHEMBL818030 | 0.77 | — | — | |
| SCHEMBL7768521 | 0.77 | — | — | |
| SCHEMBL981080 | 0.77 | 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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-105348998-A | Organosilicon modified waterborne photo-curing epoxy-acrylic coating and preparation method thereof | SKSHU PAINT CO LTD | 2016-02-24 | — | — | CN | claimed |