⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL247125 | 0.75 | — | — | |
| SCHEMBL23428789 | 0.74 | — | — | |
| SCHEMBL669598 | 0.73 | — | — | |
| SCHEMBL28326923 | 0.71 | — | — | |
| SCHEMBL27672330 | 0.71 | — | — | |
| SCHEMBL7194402 | 0.71 | MAPT (0.38) | — | |
| SCHEMBL188253 | 0.69 | — | — | |
| SCHEMBL20608336 | 0.69 | — | — | |
| SCHEMBL16240859 | 0.69 | SPHK1 (0.31) | — | |
| SCHEMBL754627 | 0.69 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-3784671-A1 | DUAL ATM AND DNA-PK INHIBITORS FOR USE IN ANTI-TUMOR THERAPY | XRad Therapeutics, Inc. (US) | 2021-03-03 | — | — | EP | disclosed |
| WO-2019201283-A1 | DUAL ATM AND DNA-PK INHIBITORS FOR USE IN ANTI-TUMOR THERAPY | XRAD THERAPEUTICS, INC. (US) | 2019-10-24 | — | — | WO | disclosed |