⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8406281 | 1.00 | — | — | |
| SCHEMBL10875384 | 0.84 | — | — | |
| SCHEMBL3097614 | 0.79 | L3MBTL1 (0.38) | — | |
| SCHEMBL8406326 | 0.77 | — | — | |
| SCHEMBL8406279 | 0.72 | — | — | |
| SCHEMBL25649726 | 0.68 | L3MBTL1 (0.36) | — | |
| SCHEMBL22001068 | 0.67 | BIRC2 (0.31) | — | |
| SCHEMBL20731172 | 0.66 | — | — | |
| SCHEMBL8406275 | 0.66 | — | — | |
| SCHEMBL8406280 | 0.63 | F2 (0.30) | — |
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 |