⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL240567 | 0.71 | — | — | |
| SCHEMBL25368925 | 0.71 | — | — | |
| Ammonia Solution, Strong SCHEMBL28329368 | 0.69 | — | — | |
| SCHEMBL27407489 | 0.69 | — | — | |
| SCHEMBL414311 | 0.69 | — | — | |
| SCHEMBL22401736 | 0.69 | — | — | |
| Methyl Alcohol SCHEMBL2237508 | 0.67 | — | — | |
| SCHEMBL16456459 | 0.67 | — | — | |
| SCHEMBL1867343 | 0.67 | — | — | |
| SCHEMBL12831344 | 0.65 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2005113580-A1 | ANTICORONVIRAL COMPOUNDS AND COMPOSITIONS, THEIR PHARMACEUTICAL USES AND MATERIALS FOR THEIR SYNTHESIS | PFIZER INC. (US) | 2005-12-01 | — | — | WO | disclosed |
| WO-2005082892-A2 | TRIAZOLE COMPOUNDS AS ANTIBACTERIAL AGENTS AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM | DR. REDDY'S LABORATORIES LTD. (IN) | 2005-09-09 | — | — | WO | disclosed |