⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL26020511 | 0.93 | — | — | |
| SCHEMBL26412456 | 0.92 | — | — | |
| SCHEMBL26020398 | 0.85 | — | — | |
| SCHEMBL26412454 | 0.84 | NOTUM (0.33) | — | |
| SCHEMBL26020507 | 0.84 | — | — | |
| SCHEMBL26412345 | 0.84 | CYP3A4 (0.31) | — | |
| SCHEMBL26020303 | 0.83 | PTAFR (0.31) | — | |
| SCHEMBL26412184 | 0.80 | — | — | |
| SCHEMBL26412450 | 0.79 | HTR2A (0.30) | — | |
| SCHEMBL25877384 | 0.77 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-20230130109-A1 | MACROCYCLIC INDOLE DERIVATIVES AS INHIBITORS OF MCL-1 | JANSSEN PHARMACEUTICA NV (BE) | 2023-04-27 | — | — | US | disclosed |
| US-20230130109-A1 | MACROCYCLIC INDOLE DERIVATIVES AS INHIBITORS OF MCL-1 | JANSSEN PHARMACEUTICA NV (BE) | 2023-04-27 | — | — | US | disclosed |