⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL28098639 | 0.79 | — | — | |
| SCHEMBL30196384 | 0.76 | — | — | |
| SCHEMBL28126268 | 0.74 | — | — | |
| SCHEMBL9935300 | 0.74 | — | — | |
| SCHEMBL28500939 | 0.74 | — | — | |
| SCHEMBL9934750 | 0.70 | — | — | |
| SCHEMBL9934265 | 0.69 | — | — | |
| SCHEMBL9934751 | 0.69 | — | — | |
| SCHEMBL9934262 | 0.69 | — | — | |
| Cycloheptane SCHEMBL28163439 | 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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-4433484-A1 | MACROCYCLIC 2-AMINO-BUT-3-ENAMIDES AS INHIBITORS OF MCL-1 | JANSSEN Pharmaceutica NV (BE) | 2024-09-25 | — | — | EP | disclosed |
| WO-2023088894-A1 | MACROCYCLIC 2-AMINO-BUT-3-ENAMIDES AS INHIBITORS OF MCL-1 | JANSSEN PHARMACEUTICA NV (BE) | 2023-05-25 | — | — | WO | disclosed |
| WO-2023020486-A1 | RIP1 KINASE INHIBITOR COMPOUND AND COMPOSITION AND USE THEREOF | 广州市恒诺康医药科技有限公司 | 2023-02-23 | — | — | WO | disclosed |
| CN-115485269-A | Ring-closure synthesis of macrocyclic MCL-1 inhibitor intermediates | 安进公司 | 2022-12-16 | — | — | CN | disclosed |
| CN-114096546-A | Macrocyclic spirocyclic derivatives useful as MCL-1 inhibitors | 詹森药业有限公司 | 2022-02-25 | — | — | CN | disclosed |