⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL18922329 | 0.80 | CYP1A2 (0.38) | — | |
| SCHEMBL2020686 | 0.75 | JAK2 (0.34) | — | |
| SCHEMBL965983 | 0.74 | — | — | |
| SCHEMBL11985341 | 0.72 | — | — | |
| SCHEMBL11985395 | 0.72 | — | — | |
| SCHEMBL12575200 | 0.72 | — | — | |
| SCHEMBL12575129 | 0.72 | LSS (0.31) | — | |
| SCHEMBL12949146 | 0.71 | ALDH1A1 (0.32) | — | |
| SCHEMBL11985364 | 0.70 | — | — | |
| SCHEMBL11985402 | 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-20110160251-A1 | ANIMAL ECTOPARASITE CONTROL COMPOSITION | SUMITOMO CHEMICAL COMPANY, LIMITED (JP) | 2011-06-30 | — | — | US | disclosed |