⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL20745608 | 0.79 | — | — | |
| SCHEMBL19135 | 0.76 | LMNA (0.34) | — | |
| SCHEMBL25227455 | 0.72 | — | — | |
| SCHEMBL24780370 | 0.72 | NPSR1 (0.31) | — | |
| Acetic Acid SCHEMBL20746005 | 0.71 | — | — | |
| Acetic Acid SCHEMBL22263009 | 0.68 | CYP4F2 (0.32) | — | |
| SCHEMBL22320610 | 0.68 | — | — | |
| SCHEMBL3720088 | 0.68 | — | — | |
| SCHEMBL3760666 | 0.68 | — | — | |
| SCHEMBL28200 | 0.67 | HDAC4 (0.33) | — |
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 4 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 |
| EP-3668504-A1 | MACROCYCLIC MCL-1 INHIBITORS AND METHODS OF USE | AbbVie Inc. (US) | 2020-06-24 | — | — | EP | disclosed |
| WO-2019035914-A1 | MACROCYCLIC MCL-1 INHIBITORS AND METHODS OF USE | ABBVIE INC. (US) | 2019-02-21 | — | — | WO | disclosed |