⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4880462 | 0.86 | ALDH1A1 (0.37) | — | |
| SCHEMBL28573457 | 0.80 | ALDH1A1 (0.33) | — | |
| SCHEMBL3871791 | 0.80 | ALDH1A1 (0.37) | — | |
| SCHEMBL15694681 | 0.80 | ALDH1A1 (0.37) | — | |
| SCHEMBL4318074 | 0.77 | ALDH1A1 (0.35) | — | |
| SCHEMBL2418354 | 0.75 | ALDH1A1 (0.38) | — | |
| SCHEMBL15800756 | 0.74 | ALDH1A1 (0.35) | — | |
| SCHEMBL15214444 | 0.73 | — | — | |
| 1,4-Butanediol SCHEMBL7859266 | 0.73 | TSHR (0.41) | — | |
| SCHEMBL22355 | 0.73 | — | — |
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-108884342-A | UV CURABLE INKJET INKS | 爱克发有限公司 | 2018-11-23 | — | — | CN | disclosed |