⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL29270822 | 0.91 | PLAT (0.30) | — | |
| SCHEMBL26961708 | 0.80 | GAA (0.32) | — | |
| SCHEMBL29796818 | 0.80 | GAA (0.32) | — | |
| SCHEMBL29270801 | 0.78 | LMNA (0.35) | — | |
| SCHEMBL29270757 | 0.78 | CYP2C9 (0.33) | — | |
| SCHEMBL29270820 | 0.76 | HDAC1 (0.33) | — | |
| SCHEMBL29270754 | 0.76 | AKR1B1 (0.32) | — | |
| SCHEMBL29270708 | 0.75 | TP53 (0.34) | — | |
| SCHEMBL29270721 | 0.71 | CNR2 (0.32) | — | |
| SCHEMBL29270724 | 0.70 | SSTR4 (0.36) | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-116964048-A | Bicyclic tetrahydroazepine derivatives for the treatment of cancer | 豪夫迈·罗氏有限公司 | 2023-10-27 | — | — | CN | disclosed |