⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL858846 | 0.76 | — | — | |
| SCHEMBL11810784 | 0.75 | SMN1; SMN2 (0.32) | — | |
| SCHEMBL3533339 | 0.74 | — | — | |
| SCHEMBL4039693 | 0.71 | SMN1; SMN2 (0.41) | — | |
| SCHEMBL18153538 | 0.71 | ALDH1A1 (0.39) | — | |
| SCHEMBL4033439 | 0.71 | TRIM24 (0.32) | — | |
| SCHEMBL1778393 | 0.71 | TRIM24 (0.36) | — | |
| SCHEMBL4031367 | 0.71 | TRIM24 (0.32) | — | |
| SCHEMBL11982599 | 0.69 | TRIM24 (0.31) | — | |
| SCHEMBL5173348 | 0.69 | — | — |
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-20110251159-A1 | Phosphoramidate Alkylator Prodrugs | THRESHOLD PHARMACEUTICALS, INC. (US) | 2011-10-13 | — | — | US | disclosed |