⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL23637634 | 0.71 | — | — | |
| SCHEMBL5739240 | 0.71 | — | — | |
| SCHEMBL19847475 | 0.68 | — | — | |
| SCHEMBL24224384 | 0.67 | — | — | |
| SCHEMBL9486207 | 0.62 | — | — | |
| SCHEMBL8998683 | 0.62 | — | — | |
| SCHEMBL12879510 | 0.62 | — | — | |
| SCHEMBL13145924 | 0.62 | — | — | |
| SCHEMBL13479482 | 0.61 | — | — | |
| SCHEMBL12485277 | 0.61 | — | — |
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 |