⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL22694098 | 0.69 | — | — | |
| SCHEMBL787500 | 0.62 | — | — | |
| SCHEMBL20377355 | 0.59 | — | — | |
| SCHEMBL22129812 | 0.59 | — | — | |
| Formaldehyde SCHEMBL35678 | 0.43 | — | — | |
| Acrolein SCHEMBL29725143 | 0.42 | — | — | |
| SCHEMBL151208 | 0.41 | — | — | |
| Butadiene SCHEMBL7622324 | 0.41 | — | — | |
| SCHEMBL24749 | 0.41 | — | — | |
| Butadiene SCHEMBL8016627 | 0.38 | — | — |
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-112920782-A | Stabilized nanoparticle compositions comprising ions | 沙特阿拉伯石油公司 | 2021-06-08 | — | — | CN | disclosed |
| CN-108026438-B | Stabilized nanoparticle compositions comprising ions | 沙特阿拉伯石油公司 | 2021-02-26 | — | — | CN | disclosed |