⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL24337186 | 0.83 | — | — | |
| SCHEMBL20998379 | 0.80 | KIF11 (0.30) | — | |
| SCHEMBL12039754 | 0.76 | MAPK1 (0.35) | — | |
| SCHEMBL20148571 | 0.76 | MMP8 (0.35) | — | |
| SCHEMBL26016572 | 0.73 | DNM1 (0.32) | — | |
| SCHEMBL21302053 | 0.72 | — | — | |
| SCHEMBL12022865 | 0.72 | ALDH1A1 (0.36) | — | |
| SCHEMBL12039840 | 0.72 | HSD17B10 (0.31) | — | |
| SCHEMBL21727104 | 0.72 | — | — | |
| SCHEMBL11660569 | 0.71 | — | — |
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-20190143639-A1 | LAMINATE, BUILDING MATERIAL, BUILDING, AND HEAT INSULATING CONTAINER | SUMITOMO CHEMICAL COMPANY LIMITED (JP) | 2019-05-16 | — | — | US | disclosed |