⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2395322 | 0.55 | — | — | |
| SCHEMBL7525799 | 0.53 | — | — | |
| SCHEMBL438580 | 0.47 | — | — | |
| SCHEMBL13700989 | 0.43 | — | — | |
| SCHEMBL8899698 | 0.43 | — | — | |
| SCHEMBL14220486 | 0.41 | — | — | |
| SCHEMBL6545149 | 0.40 | — | — | |
| Acetonitrile SCHEMBL28202570 | 0.38 | CYP2A6 (0.57) | — | |
| SCHEMBL767196 | 0.37 | — | — | |
| SCHEMBL12219421 | 0.36 | CCR8 (0.50) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-1212326-A4 | PYRROLO 2,3-d]PYRIMIDINE NUCLEOSIDE ANALOGS | ICN PHARMACEUTICALS (US) | 2003-08-20 | — | — | EP | disclosed |
| EP-1212326-A1 | PYRROLO 2,3-d]PYRIMIDINE NUCLEOSIDE ANALOGS | ICN Pharmaceuticals, Inc. (US) | 2002-06-12 | — | — | EP | disclosed |
| WO-2001027114-A1 | PYRROLO[2,3-d]PYRIMIDINE NUCLEOSIDE ANALOGS | ICN PHARMACEUTICALS, INC. (US) | 2001-04-19 | — | — | WO | disclosed |