⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL26414895 | 0.70 | — | — | |
| SCHEMBL26414893 | 0.69 | CYP2D6 (0.31) | — | |
| SCHEMBL14990863 | 0.68 | TSHR (0.33) | — | |
| SCHEMBL21847337 | 0.66 | GAA (0.43) | — | |
| SCHEMBL26414841 | 0.65 | TSHR (0.32) | — | |
| SCHEMBL21847349 | 0.65 | NAAA (0.34) | — | |
| SCHEMBL2774042 | 0.65 | TSHR (0.31) | — | |
| SCHEMBL14465978 | 0.63 | MMP8 (0.31) | — | |
| SCHEMBL27465981 | 0.63 | TSHR (0.34) | — | |
| SCHEMBL8092480 | 0.63 | ATM (0.39) | — |
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-20230129965-A1 | HYDROPHILIC AND OLEOPHOBIC POLYMER | SUMITOMO CHEMICAL COMPANY, LIMITED (JP) | 2023-04-27 | — | — | US | disclosed |