⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8737871 | 0.76 | CYP19A1 (0.37) | — | |
| SCHEMBL21427114 | 0.66 | HSD11B1 (0.32) | — | |
| SCHEMBL20083937 | 0.65 | EPHX1 (0.39) | — | |
| SCHEMBL22758549 | 0.64 | SMN1; SMN2 (0.42) | — | |
| SCHEMBL21078006 | 0.63 | DRD2 (0.39) | — | |
| SCHEMBL18074854 | 0.61 | TSHR (0.33) | — | |
| SCHEMBL31213026 | 0.61 | CYP1A2 (0.38) | — | |
| SCHEMBL14215528 | 0.61 | — | — | |
| SCHEMBL31213025 | 0.60 | CYP1A2 (0.41) | — | |
| SCHEMBL21451469 | 0.59 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2021018118-A1 | COMPOUNDS AND METHODS FOR THE TARGETED DEGRADATION OF INTERLEUKIN-1 RECEPTOR-ASSOCIATED KINASE 1 PROTEINS | JANSSEN PHARMACEUTICA NV (BE) | 2021-02-04 | — | — | WO | disclosed |