⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL19215159 | 0.83 | — | — | |
| SCHEMBL18457384 | 0.79 | ALDH1A1 (0.42) | — | |
| SCHEMBL23974113 | 0.77 | ALDH1A1 (0.33) | — | |
| SCHEMBL20691729 | 0.77 | — | — | |
| SCHEMBL18714082 | 0.72 | SLC18A2 (0.30) | — | |
| SCHEMBL24994360 | 0.71 | HMGCR (0.37) | — | |
| SCHEMBL15132653 | 0.70 | HMGCR (0.39) | — | |
| SCHEMBL19134570 | 0.69 | — | — | |
| SCHEMBL13073269 | 0.69 | PRKCA (0.36) | — | |
| SCHEMBL11620034 | 0.69 | — | — |
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-9927708-B2 | Pattern forming process and shrink agent | SHIN-ETSU CHEMICAL CO., LTD. (JP) | 2018-03-27 | — | — | US | disclosed |