⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL11495876 | 0.83 | ALDH1A1 (0.43) | — | |
| SCHEMBL428246 | 0.83 | — | — | |
| SCHEMBL2428440 | 0.83 | — | — | |
| Formaldehyde SCHEMBL28154486 | 0.80 | — | — | |
| Hydrochloric Acid SCHEMBL28255669 | 0.79 | — | — | |
| Acetaldehyde SCHEMBL27720571 | 0.78 | TSHR (0.40) | — | |
| Water SCHEMBL27585513 | 0.76 | — | — | |
| Acetonitrile SCHEMBL64305 | 0.76 | ALDH1A1 (0.38) | — | |
| SCHEMBL4534642 | 0.75 | — | — | |
| SCHEMBL9825155 | 0.73 | ALDH1A1 (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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20090270390-A1 | PYRIMIDINE DERIVATIVES | ASTRAZENECA (SE) | 2009-10-29 | — | — | US | disclosed |