⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8110076 | 0.57 | — | — | |
| SCHEMBL11845595 | 0.57 | — | — | |
| SCHEMBL560858 | 0.49 | — | — | |
| SCHEMBL2004949 | 0.49 | — | — | |
| SCHEMBL185512 | 0.48 | — | — | |
| Sulfurous Acid SCHEMBL6705052 | 0.44 | CA1 (0.50) | — | |
| Hydrochloric Acid SCHEMBL4760945 | 0.44 | HSP90AA1 (0.47) | — | |
| 1,2,4-Triazole SCHEMBL6008020 | 0.42 | — | — | |
| 1,2,4-Triazole SCHEMBL2141756 | 0.42 | — | — | |
| SCHEMBL3033589 | 0.42 | — | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2004037989-A2 | MODIFIED NUCLEOTIDES AND METHODS OF LABELING NUCLEIC ACIDS | STRATAGENE (US) | 2004-05-06 | — | — | WO | disclosed |