⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8406307 | 0.86 | — | — | |
| SCHEMBL16769356 | 0.63 | — | — | |
| SCHEMBL9944694 | 0.60 | ALDH1A1 (0.32) | — | |
| SCHEMBL8406318 | 0.60 | — | — | |
| SCHEMBL8406299 | 0.56 | — | — | |
| SCHEMBL27678191 | 0.56 | — | — | |
| SCHEMBL15012842 | 0.55 | — | — | |
| SCHEMBL26157074 | 0.55 | — | — | |
| SCHEMBL22326406 | 0.55 | — | — | |
| SCHEMBL1550554 | 0.55 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-2640507-B1 | ACID GAS ABSORBENT COMPOSITION | NALCO CO (US) | 2019-05-08 | — | — | EP | disclosed |