⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL16816935 | 0.84 | NPSR1 (0.39) | — | |
| SCHEMBL9684749 | 0.78 | FFAR3 (0.30) | — | |
| SCHEMBL3262406 | 0.77 | ALDH1A1 (0.30) | — | |
| SCHEMBL28088985 | 0.74 | — | — | |
| SCHEMBL28076003 | 0.74 | — | — | |
| SCHEMBL905327 | 0.72 | — | — | |
| SCHEMBL506362 | 0.72 | — | — | |
| SCHEMBL28022605 | 0.72 | ALDH1A1 (0.34) | — | |
| SCHEMBL28160126 | 0.72 | — | — | |
| SCHEMBL28160560 | 0.72 | — | — |
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-103819681-B | A kind of ultraviolet photo-curing cementing agent and preparation method thereof | 中国科学院长春应用化学研究所 | 2016-08-24 | — | — | CN | disclosed |