⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL20522195 | 0.78 | ADORA3 (0.31) | — | |
| SCHEMBL20521973 | 0.78 | SMYD2 (0.31) | — | |
| SCHEMBL20521983 | 0.75 | HTR2C (0.32) | — | |
| SCHEMBL20521761 | 0.74 | HTR2C (0.31) | — | |
| SCHEMBL27614173 | 0.70 | CETP (0.40) | — | |
| SCHEMBL19635866 | 0.70 | IDO1 (0.33) | — | |
| SCHEMBL3481751 | 0.68 | LTA4H (0.36) | — | |
| SCHEMBL4590392 | 0.68 | LTA4H (0.35) | — | |
| SCHEMBL20522115 | 0.68 | HTR2C (0.31) | — | |
| SCHEMBL20521777 | 0.68 | HTR2C (0.31) | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2018178226-A1 | MCL-1 INHIBITORS AND METHODS OF USE THEREOF | ASTRAZENECA AB (SE) | 2018-10-04 | — | — | WO | disclosed |