⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL12245377 | 0.82 | TSHR (0.33) | — | |
| SCHEMBL24477936 | 0.80 | — | — | |
| SCHEMBL6457669 | 0.80 | TSHR (0.44) | — | |
| Cyclooctanol SCHEMBL6141759 | 0.76 | TSHR (0.56) | — | |
| Cyclohexanol SCHEMBL11455017 | 0.76 | TSHR (0.56) | — | |
| SCHEMBL7019540 | 0.74 | ALDH1A1 (0.31) | — | |
| SCHEMBL180095 | 0.73 | — | — | |
| SCHEMBL23520720 | 0.73 | — | — | |
| SCHEMBL16750985 | 0.73 | — | — | |
| SCHEMBL25438483 | 0.73 | — | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-109081910-A | A kind of copolyesters and preparation method thereof | 中国科学院长春应用化学研究所 | 2018-12-25 | — | — | CN | disclosed |
| EP-3321300-A1 | PARTICULATE SOLID COMPOSITE MATERIAL FOR NUCLEIC ACID PURIFICATION COMPRISING MAGNETIC NANOPARTICLES | AXAGARIUS GmbH & Co. KG (DE) | 2018-05-16 | — | — | EP | disclosed |