⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL14652443 | 0.88 | GPR35 (0.32) | — | |
| SCHEMBL20656014 | 0.83 | GPR35 (0.31) | — | |
| SCHEMBL21439938 | 0.78 | — | — | |
| SCHEMBL16546078 | 0.75 | GPR35 (0.30) | — | |
| SCHEMBL20656012 | 0.72 | LIMK1 (0.44) | — | |
| SCHEMBL1158425 | 0.72 | GPR35 (0.45) | — | |
| SCHEMBL16449893 | 0.70 | — | — | |
| SCHEMBL12688138 | 0.70 | GPR35 (0.43) | — | |
| SCHEMBL16256689 | 0.70 | GPR35 (0.43) | — | |
| SCHEMBL16256688 | 0.70 | GPR35 (0.43) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-20200165266-A1 | RING CLOSURE REACTION | FLEXENABLE LIMITED (GB) | 2020-05-28 | — | — | US | disclosed |
| WO-2019011826-A1 | RING CLOSURE REACTION | MERCK PATENT GMBH (DE) | 2019-01-17 | — | — | WO | disclosed |