⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL12381040 | 0.82 | — | — | |
| SCHEMBL16212501 | 0.80 | HIF1A (0.35) | — | |
| SCHEMBL9242091 | 0.69 | — | — | |
| SCHEMBL1965689 | 0.66 | — | — | |
| SCHEMBL1181554 | 0.64 | — | — | |
| SCHEMBL5767007 | 0.61 | — | — | |
| SCHEMBL7621221 | 0.61 | — | — | |
| SCHEMBL1941602 | 0.61 | — | — | |
| SCHEMBL10341289 | 0.60 | — | — | |
| SCHEMBL1788083 | 0.60 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2007079869-A2 | CYCLIC AMINALS AS FRAGRANCES | HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) | 2007-07-19 | — | — | WO | disclosed |