⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6735788 | 1.00 | — | — | |
| SCHEMBL696329 | 0.80 | — | — | |
| SCHEMBL17698451 | 0.80 | — | — | |
| SCHEMBL697654 | 0.80 | — | — | |
| SCHEMBL696330 | 0.80 | — | — | |
| SCHEMBL17698450 | 0.80 | — | — | |
| SCHEMBL27925865 | 0.79 | SRC (0.42) | — | |
| SCHEMBL696120 | 0.79 | SRC (0.42) | — | |
| SCHEMBL7533599 | 0.79 | MAPT (0.37) | — | |
| SCHEMBL696121 | 0.79 | SRC (0.42) | — |
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-6683029-B1 | Halopyrimidines | BAYER AKTIENGESELLSCHAFT (DE) | 2004-01-27 | — | — | US | disclosed |