⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL29471224 | 0.93 | SLC6A4 (0.35) | — | |
| SCHEMBL24317132 | 0.93 | SLC6A4 (0.35) | — | |
| SCHEMBL24317208 | 0.82 | MAPT (0.34) | — | |
| SCHEMBL26549131 | 0.82 | MAOA (0.34) | — | |
| SCHEMBL24316893 | 0.80 | KCNH2 (0.33) | — | |
| SCHEMBL24316865 | 0.80 | GABRA1 (0.35) | — | |
| SCHEMBL24317119 | 0.80 | POLB (0.34) | — | |
| SCHEMBL24317131 | 0.80 | EGFR (0.32) | — | |
| SCHEMBL24317120 | 0.80 | FGFR1 (0.32) | — | |
| SCHEMBL24316602 | 0.80 | CREBBP (0.40) | — |
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-2022053967-A1 | HETEROCYCLIC COMPOUNDS AS CBP/EP300 BROMODOMAIN INHIBITORS | AURIGENE DISCOVERY TECHNOLOGIES LIMITED (IN) | 2022-03-17 | — | — | WO | disclosed |