⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL18929904 | 0.69 | — | — | |
| SCHEMBL19624772 | 0.61 | AKT1 (0.39) | — | |
| SCHEMBL14393812 | 0.60 | JAK3 (0.46) | — | |
| SCHEMBL19450871 | 0.59 | ALDH1A1 (0.43) | — | |
| SCHEMBL14095076 | 0.58 | CES2 (0.35) | — | |
| SCHEMBL13590751 | 0.58 | MEN1 (0.39) | — | |
| SCHEMBL14389806 | 0.58 | CTSD (0.44) | — | |
| SCHEMBL24923445 | 0.53 | — | — | |
| SCHEMBL22053110 | 0.53 | — | — | |
| SCHEMBL10752817 | 0.52 | — | — |
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-3693366-A1 | PROCESSES FOR PREPARING ASK1 INHIBITORS | Gilead Sciences, Inc. (US) | 2020-08-12 | — | — | EP | disclosed |