⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7214 | 0.91 | — | — | |
| Methylene Chloride SCHEMBL8318919 | 0.89 | CA2 (0.43) | — | |
| SCHEMBL18171518 | 0.88 | — | — | |
| Hydrochloric Acid SCHEMBL8954274 | 0.88 | — | — | |
| SCHEMBL1249889 | 0.88 | — | — | |
| Sulfuric Acid SCHEMBL15821656 | 0.88 | CA2 (0.48) | — | |
| SCHEMBL7927312 | 0.88 | — | — | |
| SCHEMBL7587942 | 0.88 | — | — | |
| SCHEMBL20637763 | 0.88 | — | — | |
| Ethane SCHEMBL9438385 | 0.88 | — | — |
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-105176883-A | Bacillus subtilis of high-yield mesophilic alpha-amylase and liquid fermentation method for bacillus subtilis | SHANDONG LONCT ENZYMES CO LTD | 2015-12-23 | — | — | CN | disclosed |