⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8567819 | 1.00 | — | — | |
| Sulfuric Acid SCHEMBL10963104 | 0.86 | TP53 (0.32) | — | |
| SCHEMBL4454211 | 0.75 | — | — | |
| SCHEMBL346344 | 0.75 | — | — | |
| SCHEMBL13075484 | 0.75 | — | — | |
| SCHEMBL8263135 | 0.75 | — | — | |
| SCHEMBL9346522 | 0.74 | — | — | |
| SCHEMBL20016969 | 0.74 | — | — | |
| SCHEMBL7194481 | 0.74 | — | — | |
| Hydrochloric Acid SCHEMBL27876372 | 0.73 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-112877370-A | Modified microorganism and method for producing butadiene using the same | 布拉斯科南美公司 | 2021-06-01 | — | — | CN | disclosed |