⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4849997 | 0.84 | TSHR (0.39) | — | |
| SCHEMBL23022672 | 0.71 | CYP3A4 (0.32) | — | |
| SCHEMBL14824930 | 0.71 | NOS3 (0.31) | — | |
| SCHEMBL20663060 | 0.68 | CFTR (0.37) | — | |
| SCHEMBL20460277 | 0.66 | ALDH1A1 (0.34) | — | |
| SCHEMBL12462284 | 0.59 | NOS3 (0.35) | — | |
| SCHEMBL8534624 | 0.59 | CES1 (0.46) | — | |
| SCHEMBL6669662 | 0.57 | — | — | |
| SCHEMBL6669667 | 0.57 | — | — | |
| Ethane SCHEMBL5905678 | 0.55 | TSHR (0.43) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-1757610-B1 | CONDENSED PYRIMIDINE DERIVATIVE AND XANTHINE OXIDASE INHIBITOR | NIPPON CHEMIPHAR CO (JP) | 2011-06-08 | — | — | EP | disclosed |