⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL27491146 | 0.81 | — | — | |
| SCHEMBL16789720 | 0.78 | — | — | |
| SCHEMBL13015857 | 0.78 | — | — | |
| SCHEMBL11081460 | 0.74 | — | — | |
| SCHEMBL27564035 | 0.70 | — | — | |
| SCHEMBL1360278 | 0.70 | — | — | |
| SCHEMBL2866356 | 0.69 | — | — | |
| SCHEMBL8199466 | 0.69 | USP2 (0.33) | — | |
| SCHEMBL16965556 | 0.69 | — | — | |
| SCHEMBL14300114 | 0.68 | — | — |
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-9945069-B2 | Treatment comprising water- and oil-repellent agent | DAIKIN INDUSTRIES, LTD. (JP) | 2018-04-17 | — | — | US | disclosed |