⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5995083 | 0.88 | — | — | |
| SCHEMBL16615515 | 0.88 | — | — | |
| SCHEMBL2713060 | 0.88 | — | — | |
| SCHEMBL17997131 | 0.82 | LPAR2 (0.31) | — | |
| SCHEMBL18245124 | 0.82 | LPAR2 (0.31) | — | |
| SCHEMBL18244588 | 0.82 | LPAR2 (0.31) | — | |
| SCHEMBL10960604 | 0.80 | — | — | |
| SCHEMBL16615518 | 0.80 | TDP1 (0.32) | — | |
| SCHEMBL27419330 | 0.80 | ALDH1A1 (0.32) | — | |
| SCHEMBL5496289 | 0.79 | DUT (0.31) | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3727355-A1 | COMPOUNDS AND THEIR USE IN TREATING CANCER | AstraZeneca AB (SE) | 2020-10-28 | — | — | EP | disclosed |
| CN-111491623-A | Compounds and their use in the treatment of cancer | 阿斯利康(瑞典)有限公司 | 2020-08-04 | — | — | CN | disclosed |
| US-20190194190-A1 | Compounds and Their Use in Treating Cancer | ASTRAZENECA PHARMACEUTICALS LP | 2019-06-27 | — | — | US | disclosed |