⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL14880 | 0.85 | — | — | |
| Ammonia Solution, Strong SCHEMBL28481040 | 0.83 | ZDHHC20 (0.43) | — | |
| SCHEMBL1880924 | 0.83 | ZDHHC20 (0.41) | — | |
| Acrylamide SCHEMBL11604081 | 0.82 | ALDH1A1 (0.50) | — | |
| SCHEMBL2004205 | 0.81 | ZDHHC20 (0.46) | — | |
| SCHEMBL3357464 | 0.79 | ZDHHC20 (0.46) | — | |
| SCHEMBL423989 | 0.79 | — | — | |
| Acrylic Acid SCHEMBL11417537 | 0.79 | LMNA (0.48) | — | |
| SCHEMBL6406501 | 0.78 | PSMB5 (0.39) | — | |
| SCHEMBL21838758 | 0.78 | ZDHHC20 (0.49) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-20230242548-A1 | COMPOSITIONS AND METHODS FOR TREATING CANCER | THE REGENTS OF THE UNIVERSITY OF CALIFORNIA | 2023-08-03 | — | — | US | disclosed |