⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL19873369 | 0.78 | — | — | |
| Hydrochloric Acid SCHEMBL29019056 | 0.77 | — | — | |
| SCHEMBL12479671 | 0.74 | — | — | |
| SCHEMBL28119621 | 0.74 | — | — | |
| SCHEMBL27774435 | 0.73 | — | — | |
| SCHEMBL27535341 | 0.73 | — | — | |
| SCHEMBL15440825 | 0.64 | — | — | |
| SCHEMBL30304690 | 0.63 | — | — | |
| SCHEMBL978922 | 0.63 | — | — | |
| SCHEMBL666988 | 0.61 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-112469720-B | Dual ATM and DNA-PK inhibitors for use in anti-tumor therapy | 艾科思莱德制药公司 | 2024-03-29 | — | — | CN | disclosed |
| CN-109535155-B | Apoptosis-inducing agents for the treatment of cancer and immune and autoimmune diseases | 艾伯维公司 | 2022-07-12 | — | — | CN | disclosed |
| CN-103987711-B | 8-carbamoyl-2- (2, 3-disubstituted pyridin-6-yl) -1,2,3, 4-tetrahydroisoquinoline derivatives as apoptosis inducers for the treatment of cancer and immune and autoimmune diseases | 艾伯维公司 | 2016-08-24 | — | — | CN | disclosed |