⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL16288457 | 0.93 | RAB9A (0.31) | — | |
| SCHEMBL16288444 | 0.91 | RAB9A (0.34) | — | |
| SCHEMBL16288529 | 0.91 | RAB9A (0.34) | — | |
| SCHEMBL16288985 | 0.84 | — | — | |
| SCHEMBL16287853 | 0.80 | — | — | |
| SCHEMBL16287971 | 0.80 | — | — | |
| SCHEMBL16288228 | 0.78 | ALDH1A1 (0.32) | — | |
| SCHEMBL5855794 | 0.78 | RAB9A (0.32) | — | |
| SCHEMBL11542277 | 0.77 | — | — | |
| SCHEMBL10881084 | 0.75 | — | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20150045409-A1 | AMIDE COMPOUND AND USE THEREOF FOR PEST CONTROL | SUMITOMO CHEMICAL COMPANY, LIMITED (JP) | 2015-02-12 | — | — | US | disclosed |
| EP-2813493-A1 | AMIDE COMPOUND AND USE THEREOF FOR PEST CONTROL | Sumitomo Chemical Company Limited (JP) | 2014-12-17 | — | — | EP | disclosed |
| US-5116862-A | Acetylenic trithiabicyclo(2.2.2)octanes | THE WELLCOME FOUNDATION LIMITED (GB) | 1992-05-26 | — | — | US | disclosed |