⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL25934604 | 0.92 | PLA2G2A (0.31) | — | |
| SCHEMBL26020398 | 0.92 | — | — | |
| SCHEMBL25934635 | 0.92 | — | — | |
| SCHEMBL25877380 | 0.88 | — | — | |
| SCHEMBL24075153 | 0.84 | GNRHR (0.31) | — | |
| SCHEMBL25934603 | 0.84 | PLA2G2A (0.38) | — | |
| SCHEMBL25896072 | 0.83 | PLA2G2A (0.31) | — | |
| SCHEMBL26412345 | 0.82 | CYP3A4 (0.31) | — | |
| SCHEMBL26020303 | 0.81 | PTAFR (0.31) | — | |
| SCHEMBL26020297 | 0.81 | KDM4E (0.32) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-20230234969-A1 | N-LINKED MACROCYCLIC 7-(PYRAZOL-5-YL)-INDOLE DERIVATIVES AS INHIBIORS OF MCL-1 | JANSSEN PHARMACEUTICA NV (BE) | 2023-07-27 | — | — | US | disclosed |
| US-20230234965-A1 | N-LINKED MACROCYCLIC 4-(PYRAZOL-5-YL)-INDOLE DERIVATIVES AS INHIBITORS OF MCL-1 | JANSSEN PHARMACEUTICA NV (BE) | 2023-07-27 | — | — | US | disclosed |
| US-20230234969-A1 | N-LINKED MACROCYCLIC 7-(PYRAZOL-5-YL)-INDOLE DERIVATIVES AS INHIBIORS OF MCL-1 | JANSSEN PHARMACEUTICA NV (BE) | 2023-07-27 | — | — | US | disclosed |