⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL16397923 | 0.84 | ALDH1A1 (0.37) | — | |
| SCHEMBL21194413 | 0.80 | KMT2A (0.37) | — | |
| SCHEMBL31093340 | 0.80 | KMT2A (0.37) | — | |
| SCHEMBL16398103 | 0.78 | — | — | |
| SCHEMBL16397703 | 0.78 | — | — | |
| SCHEMBL16398386 | 0.77 | HTR2A (0.31) | — | |
| SCHEMBL16397917 | 0.77 | — | — | |
| SCHEMBL16398519 | 0.76 | — | — | |
| SCHEMBL16398283 | 0.76 | — | — | |
| SCHEMBL16398495 | 0.74 | NQO2 (0.35) | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3004079-A1 | PYRIMIDINE COMPOUNDS AND THEIR USE AS GAMMA SECRETASE MODULATORS | Acturum Life Science AB (SE) | 2016-04-13 | — | — | EP | disclosed |
| WO-2014195323-A1 | PYRIMIDINE COMPOUNDS AND THEIR USE AS GAMMA SECRETASE MODULATORS | Acturum Life Science AB (SE) | 2014-12-11 | — | — | WO | disclosed |