⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3526654 | 0.77 | HIPK2 (0.33) | — | |
| SCHEMBL29503508 | 0.77 | CSNK2A1 (0.34) | — | |
| SCHEMBL30110615 | 0.77 | HIPK2 (0.33) | — | |
| SCHEMBL20745759 | 0.68 | — | — | |
| SCHEMBL15818133 | 0.63 | — | — | |
| SCHEMBL20836126 | 0.63 | — | — | |
| SCHEMBL29849056 | 0.63 | — | — | |
| SCHEMBL22323315 | 0.63 | TRPA1 (0.46) | — | |
| SCHEMBL25309323 | 0.61 | — | — | |
| SCHEMBL4474333 | 0.60 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-112739343-A | Macrocyclic MCL-1 inhibitors and methods of use | 艾伯维公司 | 2021-04-30 | — | — | CN | disclosed |
| US-20200255451-A1 | MACROCYCLIC MCL-1 INHIBITORS AND METHODS OF USE | ABBVIE INC (US) | 2020-08-13 | — | — | US | disclosed |