⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7052961 | 0.94 | — | — | |
| SCHEMBL7053585 | 0.92 | CXCR4 (0.32) | — | |
| SCHEMBL7055326 | 0.85 | SIGMAR1 (0.30) | — | |
| SCHEMBL7051146 | 0.84 | SIGMAR1 (0.31) | — | |
| SCHEMBL1427870 | 0.81 | HTR6 (0.36) | — | |
| SCHEMBL7054544 | 0.79 | — | — | |
| SCHEMBL7052820 | 0.79 | — | — | |
| SCHEMBL7047859 | 0.79 | DRD2 (0.31) | — | |
| SCHEMBL7054755 | 0.79 | KDM4E (0.34) | — | |
| SCHEMBL139587 | 0.78 | HTR6 (0.41) | — |
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-20030171361-A1 | Pyrrolopyrimidinone derivatives, process of preparation and use | SK CHEMICALS CO., LTD. (KR) | 2003-09-11 | — | — | US | disclosed |