⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3118429 | 0.76 | TYMP (0.36) | — | |
| SCHEMBL3236496 | 0.69 | — | — | |
| SCHEMBL11477500 | 0.68 | HPRT1 (0.31) | — | |
| SCHEMBL7559507 | 0.66 | TYMP (0.37) | — | |
| SCHEMBL10181081 | 0.60 | ALDH1A1 (0.43) | — | |
| SCHEMBL2140363 | 0.56 | SIGMAR1 (0.31) | — | |
| SCHEMBL2140278 | 0.55 | SIGMAR1 (0.35) | — | |
| SCHEMBL13964733 | 0.54 | MAOA (0.39) | — | |
| SCHEMBL16058833 | 0.53 | KDM4E (0.40) | — | |
| SCHEMBL19590938 | 0.51 | TYMP (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-2499142-A1 | SUBSTITUTED FUSED PYRIMIDINE COMPOUNDS, ITS PREPARATION AND USES THEREOF | Advinus Therapeutics Limited (IN) | 2012-09-19 | — | — | EP | disclosed |
| WO-2011055391-A1 | SUBSTITUTED FUSED PYRIMIDINE COMPOUNDS, ITS PREPARATION AND USES THEREOF | ADVINUS THERAPEUTICS PRIVATE LIMITED (IN) | 2011-05-12 | — | — | WO | disclosed |