⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL15416446 | 0.86 | NEK2 (0.35) | — | |
| SCHEMBL1139085 | 0.80 | — | — | |
| SCHEMBL27216510 | 0.78 | CRBN (0.37) | — | |
| SCHEMBL36856 | 0.71 | NEK2 (0.32) | — | |
| Hydrochloric Acid SCHEMBL7260312 | 0.70 | NEK2 (0.31) | — | |
| SCHEMBL337666 | 0.69 | — | — | |
| SCHEMBL206083 | 0.67 | — | — | |
| SCHEMBL23928302 | 0.65 | — | — | |
| SCHEMBL380825 | 0.65 | — | — | |
| SCHEMBL23928292 | 0.65 | — | — |
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-3459942-B1 | DNA-PK INHIBITORS | VERTEX PHARMA (US) | 2020-12-30 | — | — | EP | claimed |