⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL12878504 | 0.81 | IGF1R (0.47) | — | |
| SCHEMBL12784190 | 0.74 | CCNA2 (0.54) | — | |
| SCHEMBL12878268 | 0.73 | IGF1R (0.47) | — | |
| SCHEMBL12784188 | 0.66 | CCNA2 (0.41) | — | |
| SCHEMBL12845796 | 0.58 | CCNA2 (0.49) | — | |
| SCHEMBL17525311 | 0.56 | MAP3K14 (0.40) | — | |
| SCHEMBL31714337 | 0.55 | GSK3B (0.41) | — | |
| SCHEMBL17525312 | 0.54 | IGF1R (0.47) | — | |
| SCHEMBL737903 | 0.53 | SMN1; SMN2 (0.35) | — | |
| SCHEMBL25248571 | 0.53 | PAK1 (0.40) | — |
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 |