⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL18495051 | 0.74 | — | — | |
| SCHEMBL13212123 | 0.74 | — | — | |
| SCHEMBL18563476 | 0.74 | — | — | |
| SCHEMBL13539324 | 0.73 | — | — | |
| SCHEMBL25883070 | 0.72 | ALDH1A1 (0.32) | — | |
| SCHEMBL18801575 | 0.72 | — | — | |
| SCHEMBL25704328 | 0.70 | — | — | |
| SCHEMBL21208257 | 0.70 | — | — | |
| SCHEMBL16614076 | 0.69 | — | — | |
| SCHEMBL22354655 | 0.69 | — | — |
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-2021026529-A1 | INHIBITION OF INTERACTION BETWEEN OCT4 AND MAPKAPK2 OR DNA-PKCS TO REGULATE C-MYC IN CANCER | TEXAS TECH UNIVERSITY SYSTEM (US) | 2021-02-11 | — | — | WO | disclosed |