⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL20581 | 0.96 | — | — | |
| Water SCHEMBL9453244 | 0.96 | — | — | |
| SCHEMBL27474679 | 0.93 | — | — | |
| SCHEMBL27925555 | 0.93 | — | — | |
| Hydrochloric Acid SCHEMBL27556751 | 0.93 | — | — | |
| SCHEMBL22151557 | 0.93 | — | — | |
| SCHEMBL27717207 | 0.93 | — | — | |
| SCHEMBL27984312 | 0.93 | — | — | |
| Hydrochloric Acid SCHEMBL8763479 | 0.93 | — | — | |
| SCHEMBL27588649 | 0.93 | — | — |
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-106518728-A | Preparation method of amino-modified selective carbon dioxide adsorption crystal material | 辽宁石油化工大学 | 2017-03-22 | — | — | CN | disclosed |