⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL18232568 | 0.78 | — | — | |
| SCHEMBL16609301 | 0.78 | — | — | |
| SCHEMBL16171457 | 0.78 | — | — | |
| SCHEMBL3321923 | 0.69 | — | — | |
| SCHEMBL18001622 | 0.69 | — | — | |
| SCHEMBL13679425 | 0.65 | — | — | |
| SCHEMBL16477680 | 0.65 | — | — | |
| SCHEMBL18372472 | 0.64 | — | — | |
| SCHEMBL24148784 | 0.63 | — | — | |
| SCHEMBL18015094 | 0.63 | — | — |
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-2008083248-A2 | CYCLOPAMINE ANALOGS | INFINITY DISCOVERY, INC. (US) | 2008-07-10 | — | — | WO | disclosed |