⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9962950 | 0.75 | — | — | |
| SCHEMBL22343322 | 0.75 | — | — | |
| SCHEMBL17613265 | 0.61 | — | — | |
| SCHEMBL1075262 | 0.57 | — | — | |
| SCHEMBL8227457 | 0.55 | — | — | |
| SCHEMBL11930066 | 0.52 | ALDH1A1 (0.33) | — | |
| SCHEMBL4160674 | 0.52 | — | — | |
| SCHEMBL22543847 | 0.52 | — | — | |
| SCHEMBL198211 | 0.52 | — | — | |
| SCHEMBL15981316 | 0.52 | — | — |
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-2011019405-A1 | PYRIMIDINE COMPOUNDS AS TUBERCULOSIS INHIBITORS | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2011-02-17 | — | — | WO | disclosed |