⚠ 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 | |
|---|---|---|---|---|
| Hexane SCHEMBL28146838 | 0.90 | TSHR (0.64) | — | |
| Pentane SCHEMBL2319456 | 0.84 | — | — | |
| Pentane SCHEMBL9324970 | 0.84 | TSHR (0.78) | — | |
| Pentane SCHEMBL3196441 | 0.84 | — | — | |
| Pentane SCHEMBL9634178 | 0.84 | TSHR (1.00) | — | |
| Pentane SCHEMBL9633320 | 0.84 | TSHR (1.00) | — | |
| Pentane SCHEMBL323650 | 0.84 | TSHR (1.00) | — | |
| Pentane SCHEMBL9453163 | 0.84 | TSHR (1.00) | — | |
| Pentane SCHEMBL1234 | 0.84 | — | — | |
| Pentane SCHEMBL9633144 | 0.84 | TSHR (1.00) | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-109906228-A | Metal complexes comprising cyclopentadienyl ligands | 默克专利有限公司 | 2019-06-18 | — | — | CN | disclosed |
| CN-109890887-A | The polyethers silicone tile adhesives of condensation curable | 瓦克化学股份公司 | 2019-06-14 | — | — | CN | disclosed |
| CN-109803974-A | Metal composite containing allyl ylidene ligands | 默克专利股份有限公司 | 2019-05-24 | — | — | CN | disclosed |
| CN-109071750-A | long-lasting cosmetic composition | 生活实验公司 | 2018-12-21 | — | — | CN | disclosed |