⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL13672554 | 0.75 | CHEK1 (0.41) | — | |
| SCHEMBL4346855 | 0.60 | MGAM (0.51) | — | |
| SCHEMBL9533100 | 0.59 | GRIN1 (0.55) | — | |
| SCHEMBL13058880 | 0.58 | KDM4E (0.33) | — | |
| SCHEMBL6681270 | 0.58 | CHEK1 (0.45) | — | |
| SCHEMBL3938941 | 0.58 | CHEK1 (0.57) | — | |
| SCHEMBL5744116 | 0.58 | EGLN1 (0.42) | — | |
| SCHEMBL14300571 | 0.58 | TDP1 (0.40) | — | |
| SCHEMBL21888908 | 0.57 | GABRA1 (0.46) | — | |
| SCHEMBL20747821 | 0.57 | CACNA1H (0.34) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-20200115388-A1 | IRAK4 MODULATORS | GENENTECH, INC. (US) | 2020-04-16 | — | — | US | disclosed |