⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3309298 | 0.62 | — | — | |
| SCHEMBL2686178 | 0.61 | — | — | |
| Benzene SCHEMBL28121960 | 0.61 | RELA (0.53) | — | |
| SCHEMBL60042 | 0.61 | RELA (0.53) | — | |
| SCHEMBL17836905 | 0.61 | RELA (0.53) | — | |
| SCHEMBL4270558 | 0.60 | RELA (0.47) | — | |
| SCHEMBL17966311 | 0.59 | RELA (0.34) | — | |
| SCHEMBL17966312 | 0.59 | RELA (0.34) | — | |
| SCHEMBL27509036 | 0.59 | BCHE (0.32) | — | |
| SCHEMBL19181539 | 0.59 | RAF1 (0.33) | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1261327-A2 | ADENOSINE RECEPTOR MODULATORS | F.HOFFMANN-LA ROCHE AG (CH) | 2002-12-04 | — | — | EP | disclosed |
| WO-2001062233-A2 | ADENOSINE RECEPTOR MODULATORS | F. HOFFMANN LA ROCHE AG (CH) | 2001-08-30 | — | — | WO | disclosed |