⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL24637626 | 0.85 | MEN1 (0.33) | — | |
| SCHEMBL16505825 | 0.77 | TAS2R46 (0.43) | — | |
| SCHEMBL5160888 | 0.74 | KDM4E (0.30) | — | |
| SCHEMBL16505521 | 0.74 | MEN1 (0.41) | — | |
| SCHEMBL1001088 | 0.74 | TLR4 (0.36) | — | |
| SCHEMBL12926630 | 0.74 | TLR4 (0.36) | — | |
| SCHEMBL1001089 | 0.74 | TLR4 (0.36) | — | |
| SCHEMBL1001087 | 0.74 | TLR4 (0.36) | — | |
| SCHEMBL24772656 | 0.70 | — | — | |
| SCHEMBL12926615 | 0.69 | CYP1A2 (0.34) | — |
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-2023003890-A1 | METHODS FOR BETA-LACTONE COPOLYMERIZATION | NOVOMER, INC. (US) | 2023-01-26 | — | — | WO | disclosed |