⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL12304001 | 0.69 | PKM (0.44) | — | |
| SCHEMBL27269851 | 0.65 | ATM (0.34) | — | |
| SCHEMBL12683456 | 0.64 | ACHE (0.31) | — | |
| SCHEMBL12683331 | 0.64 | ACHE (0.32) | — | |
| SCHEMBL23222306 | 0.63 | PDK1 (0.39) | — | |
| SCHEMBL15788119 | 0.63 | PDK1 (0.39) | — | |
| SCHEMBL26817755 | 0.63 | PDK1 (0.39) | — | |
| SCHEMBL20204848 | 0.62 | SMN1; SMN2 (0.32) | — | |
| SCHEMBL17177223 | 0.62 | — | — | |
| SCHEMBL25820316 | 0.62 | — | — |
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-20120276051-A1 | INHIBITORS OF HEPATITIS C VIRUS | PRESIDIO PHARMACEUTICALS, INC. (US) | 2012-11-01 | — | — | US | disclosed |