⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL17052 | 0.93 | — | — | |
| SCHEMBL28832327 | 0.86 | — | — | |
| SCHEMBL1637454 | 0.67 | — | — | |
| Acetonitrile SCHEMBL11421109 | 0.63 | — | — | |
| Propyne SCHEMBL447120 | 0.63 | — | — | |
| SCHEMBL975051 | 0.62 | — | — | |
| SCHEMBL1551554 | 0.57 | — | — | |
| Methyl Alcohol SCHEMBL8150270 | 0.57 | — | — | |
| SCHEMBL8829599 | 0.57 | — | — | |
| Propyne SCHEMBL10631146 | 0.57 | — | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3864013-A1 | THYROID HORMONE RECEPTOR AGONISTS | InventisBio Co., Ltd. (CN) | 2021-08-18 | — | — | EP | disclosed |
| CN-112739692-A | Thyroid hormone receptor agonists | 益方生物科技(上海)股份有限公司 | 2021-04-30 | — | — | CN | disclosed |
| CN-105814092-A | Composition for hydrophilic cured product | 三井化学株式会社 | 2016-07-27 | — | — | CN | disclosed |