⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL18941948 | 0.81 | — | — | |
| SCHEMBL23316752 | 0.79 | HMGCR (0.35) | — | |
| SCHEMBL20469259 | 0.77 | — | — | |
| SCHEMBL19299638 | 0.74 | MAPK1 (0.31) | — | |
| SCHEMBL11296882 | 0.72 | — | — | |
| SCHEMBL9141904 | 0.71 | MEN1 (0.46) | — | |
| SCHEMBL19098218 | 0.71 | MEN1 (0.42) | — | |
| SCHEMBL19098578 | 0.71 | MEN1 (0.42) | — | |
| SCHEMBL20380519 | 0.71 | — | — | |
| SCHEMBL13879002 | 0.69 | ALDH1A1 (0.43) | — |
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-2012003478-A2 | DETECTING TARGETS USING MASS TAGS AND MASS SPECTROMETRY | VENTANA MEDICAL SYSTEMS, INC. (US) | 2012-01-05 | — | — | WO | disclosed |