⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL14416909 | 0.63 | — | — | |
| SCHEMBL8073612 | 0.58 | — | — | |
| SCHEMBL25208568 | 0.58 | — | — | |
| SCHEMBL14136626 | 0.58 | — | — | |
| SCHEMBL7673937 | 0.54 | — | — | |
| SCHEMBL5245755 | 0.54 | — | — | |
| SCHEMBL1641350 | 0.50 | — | — | |
| SCHEMBL202256 | 0.46 | — | — | |
| SCHEMBL8926692 | 0.46 | — | — | |
| SCHEMBL187216 | 0.46 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| JP-2007119679-A | ODORANT FOR FUEL GAS | RIKEN KORYO KOGYO KK | 2007-05-17 | — | — | JP | disclosed |