⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL28542318 | 0.74 | MEN1 (0.31) | — | |
| SCHEMBL21625512 | 0.71 | NOS3 (0.35) | — | |
| SCHEMBL30147862 | 0.70 | NUDT1 (0.41) | — | |
| SCHEMBL23234577 | 0.69 | GABRA1 (0.33) | — | |
| SCHEMBL20698992 | 0.69 | P2RX3 (0.31) | — | |
| SCHEMBL9777725 | 0.69 | LMNA (0.41) | — | |
| SCHEMBL28527776 | 0.69 | NOS3 (0.31) | — | |
| SCHEMBL21625507 | 0.69 | HSP90AA1 (0.42) | — | |
| SCHEMBL21637156 | 0.67 | NOS3 (0.40) | — | |
| SCHEMBL22014867 | 0.67 | TDP1 (0.33) | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-112513048-A | Sulfonylimide compounds as inhibitors of interleukin-1 activity | 豪夫迈·罗氏有限公司 | 2021-03-16 | — | — | CN | disclosed |