⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2730981 | 1.00 | — | — | |
| SCHEMBL2730979 | 1.00 | — | — | |
| SCHEMBL17772221 | 0.78 | — | — | |
| SCHEMBL20274696 | 0.75 | — | — | |
| SCHEMBL22001191 | 0.75 | — | — | |
| SCHEMBL19965828 | 0.75 | — | — | |
| SCHEMBL322832 | 0.73 | ALDH1A1 (1.00) | — | |
| SCHEMBL20661241 | 0.73 | ALDH1A1 (1.00) | — | |
| SCHEMBL14855 | 0.73 | — | — | |
| SCHEMBL1331930 | 0.73 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-3515500-B1 | METHOD FOR REDUCING MATRIX EFFECTS IN ANALYTICAL SAMPLE | AGILENT TECHNOLOGIES INC (US) | 2023-07-12 | — | — | EP | disclosed |
| WO-2017117393-A1 | METALLOENZYME INHIBITOR COMPOUNDS | VIAMET PHARMACEUTICALS, INC. (US) | 2017-07-06 | — | — | WO | disclosed |