⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL352291 | 0.85 | GRM5 (0.65) | — | |
| Methyl Alcohol SCHEMBL28902013 | 0.80 | GRM5 (0.67) | — | |
| SCHEMBL4927688 | 0.80 | GRM5 (0.55) | — | |
| SCHEMBL103541 | 0.76 | — | — | |
| SCHEMBL172943 | 0.76 | — | — | |
| SCHEMBL30214467 | 0.76 | — | — | |
| SCHEMBL16004606 | 0.76 | GRM5 (0.57) | — | |
| SCHEMBL28711291 | 0.76 | — | — | |
| SCHEMBL21197623 | 0.76 | — | — | |
| SCHEMBL30526535 | 0.76 | GRM5 (0.57) | — |
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-1056759-B1 | 2-(PURIN-9-YL) -TETRAHYDROFURAN-3, 4-DIOL DERIVATIVES | GLAXO GROUP LTD (GB) | 2002-09-04 | — | — | EP | claimed |
| CN-104245671-A | Nitrogen-containing heterocyclic compound or salt thereof | FUJIFILM CORP | 2014-12-24 | — | — | CN | disclosed |