⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL18167350 | 0.83 | — | — | |
| SCHEMBL157028 | 0.80 | — | — | |
| SCHEMBL329299 | 0.80 | — | — | |
| SCHEMBL487333 | 0.78 | TDP1 (0.38) | — | |
| SCHEMBL21219177 | 0.78 | TDP1 (0.38) | — | |
| SCHEMBL11852458 | 0.78 | — | — | |
| SCHEMBL21519882 | 0.78 | TDP1 (0.38) | — | |
| SCHEMBL21225948 | 0.78 | TDP1 (0.38) | — | |
| SCHEMBL9153552 | 0.78 | TDP1 (0.38) | — | |
| SCHEMBL11554076 | 0.78 | TDP1 (0.38) | — |
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-2009151744-A1 | S-NITROSOMERCAPTO COMPOUNDS AND RELATED DERIVATIVES | GALLEON PHARMACEUTICALS, INC. (US) | 2009-12-17 | — | — | WO | disclosed |
| US-3966801-A | ANTIINFLAMMATORY AGENTS | WILLIAM H. RORER, INC. (US) | 1976-06-29 | — | — | US | disclosed |