⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8507384 | 0.80 | — | — | |
| SCHEMBL30773 | 0.80 | — | — | |
| SCHEMBL89767 | 0.80 | — | — | |
| Ether SCHEMBL27327854 | 0.78 | ALDH1A1 (0.32) | — | |
| Ethylene SCHEMBL8167864 | 0.77 | — | — | |
| Bromide SCHEMBL28548996 | 0.77 | — | — | |
| Hydrochloric Acid SCHEMBL17242650 | 0.77 | — | — | |
| Water SCHEMBL4908316 | 0.77 | — | — | |
| Bromide SCHEMBL28551349 | 0.74 | TSHR (0.50) | — | |
| Methyl Alcohol SCHEMBL998584 | 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-114699900-B | Preparation method and application of hydroxyalkyl piperazinyl carbon trapping agent | 合肥工业大学 | 2023-05-09 | — | — | CN | disclosed |
| CN-114699900-A | Preparation method and application of hydroxyalkyl piperazine-based carbon trapping agent | 合肥工业大学 | 2022-07-05 | — | — | CN | disclosed |