⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8710648 | 1.00 | — | — | |
| SCHEMBL8710658 | 1.00 | — | — | |
| SCHEMBL12869959 | 0.79 | KDM4E (0.37) | — | |
| SCHEMBL8711480 | 0.77 | ACHE (0.31) | — | |
| SCHEMBL8783865 | 0.75 | CYP3A4 (0.37) | — | |
| SCHEMBL8783870 | 0.75 | CYP3A4 (0.37) | — | |
| SCHEMBL12858078 | 0.75 | KDM4E (0.31) | — | |
| SCHEMBL16830311 | 0.71 | KDM4E (0.31) | — | |
| SCHEMBL16846748 | 0.71 | KDM4E (0.31) | — | |
| SCHEMBL16830446 | 0.71 | KDM4E (0.31) | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5736549-A | INHIBITORS OF PURINE NUCLEOSIDE PHOSPHORYLASE, USED FOR TREATING OR PREVENTING TISSUE REJECTION OR SELECTIVE SUPPRESSION OF MAMMALIAN T-CELL FUNCTION | CHIROSCIENCE LIMITED (GB) | 1998-04-07 | — | — | US | disclosed |
| EP-0784624-A1 | PURINE AND GUANINE COMPOUNDS AS INHIBITORS OF PNP | Chiroscience Limited (GB) | 1997-07-23 | — | — | EP | disclosed |
| WO-1996011200-A1 | PURINE AND GUANINE COMPOUNDS AS INHIBITORS OF PNP | CHIROSCIENCE LIMITED (GB) | 1996-04-18 | — | — | WO | disclosed |