⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL11278338 | 0.81 | MEN1 (0.31) | — | |
| SCHEMBL2789369 | 0.81 | — | — | |
| SCHEMBL384245 | 0.78 | — | — | |
| SCHEMBL25541954 | 0.75 | — | — | |
| SCHEMBL11287577 | 0.75 | — | — | |
| SCHEMBL181307 | 0.73 | — | — | |
| SCHEMBL18881747 | 0.73 | MEN1 (0.33) | — | |
| SCHEMBL669083 | 0.73 | — | — | |
| SCHEMBL9390342 | 0.71 | TSHR (0.46) | — | |
| Ammonia Solution, Strong SCHEMBL8747229 | 0.71 | RIPK1 (0.41) | — |
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-20120046291-A1 | Extended Triterpene Derivatives | MYREXIS, INC. | 2012-02-23 | — | — | US | disclosed |