⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5606695 | 0.80 | — | — | |
| SCHEMBL163944 | 0.65 | — | — | |
| SCHEMBL15176992 | 0.63 | — | — | |
| SCHEMBL17928458 | 0.59 | — | — | |
| SCHEMBL15308141 | 0.59 | — | — | |
| SCHEMBL17853365 | 0.59 | — | — | |
| SCHEMBL15382104 | 0.59 | — | — | |
| SCHEMBL16073061 | 0.59 | — | — | |
| SCHEMBL16073051 | 0.59 | — | — | |
| SCHEMBL16073071 | 0.59 | — | — |
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-6420561-B1 | Amide compounds and use thereof | JAPAN TOBACCO INC. (JP) | 2002-07-16 | — | — | US | disclosed |