⚠ 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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL10570728 | 0.82 | — | — | |
| Butane SCHEMBL296815 | 0.78 | — | — | |
| SCHEMBL68461 | 0.78 | — | — | |
| SCHEMBL109023 | 0.78 | — | — | |
| Bromide SCHEMBL9709858 | 0.75 | — | — | |
| SCHEMBL10455387 | 0.75 | — | — | |
| SCHEMBL5961099 | 0.75 | — | — | |
| Methane SCHEMBL1116289 | 0.75 | — | — | |
| SCHEMBL28170478 | 0.75 | — | — | |
| Ethane SCHEMBL29126000 | 0.75 | — | — |
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-108102317-A | A kind of degredation plastic explosive column shell of seismic focus | 安徽理工大学 | 2018-06-01 | — | — | CN | claimed |
| CN-108102317-A | A kind of degredation plastic explosive column shell of seismic focus | 安徽理工大学 | 2018-06-01 | — | — | CN | disclosed |