⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1222204 | 0.81 | CYP2D6 (0.50) | — | |
| Ammonia Solution, Strong SCHEMBL10962239 | 0.79 | CYP2D6 (0.48) | — | |
| SCHEMBL31536491 | 0.79 | CYP2D6 (0.48) | — | |
| SCHEMBL30608839 | 0.79 | CYP2D6 (0.48) | — | |
| SCHEMBL9938559 | 0.77 | — | — | |
| SCHEMBL9838494 | 0.77 | — | — | |
| SCHEMBL8715725 | 0.77 | — | — | |
| SCHEMBL10813679 | 0.77 | — | — | |
| SCHEMBL10521786 | 0.75 | CYP1A2 (0.56) | — | |
| SCHEMBL10524374 | 0.75 | CYP2D6 (0.45) | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-108049063-A | Cotton fabric one-bath DSB method short-flow pre-treating process | 绍兴恒钧环保科技有限公司 | 2018-05-18 | — | — | CN | disclosed |
| WO-1993001810-A1 | ANALOGS OF CALICHEAMICIN η1I, METHOD OF MAKING AND USING THE SAME | THE SCRIPPS RESEARCH INSTITUTE (US) | 1993-02-04 | — | — | WO | disclosed |