⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3808192 | 0.83 | — | — | |
| SCHEMBL2250822 | 0.69 | — | — | |
| SCHEMBL28262739 | 0.66 | — | — | |
| SCHEMBL5352281 | 0.66 | — | — | |
| SCHEMBL8730174 | 0.66 | — | — | |
| SCHEMBL283774 | 0.66 | — | — | |
| SCHEMBL5281674 | 0.66 | — | — | |
| SCHEMBL28851773 | 0.66 | — | — | |
| SCHEMBL4117372 | 0.65 | — | — | |
| SCHEMBL5083198 | 0.64 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2004065389-A1 | PYRROLOPYRIMIDINE DERIVATIVES USEFUL AS MODULATORS OF MULTIDRUG RESISTANCE | XENOVA LIMITED (GB) | 2004-08-05 | — | — | WO | disclosed |