⚠ 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 | |
|---|---|---|---|---|
| Water SCHEMBL27896958 | 0.80 | — | — | |
| SCHEMBL27719031 | 0.80 | — | — | |
| Nitric Acid SCHEMBL27719029 | 0.76 | CA5A (0.31) | — | |
| Trifluoromethanesulfonic Acid SCHEMBL27739950 | 0.75 | — | — | |
| SCHEMBL28052066 | 0.75 | ALDH1A1 (0.32) | — | |
| SCHEMBL28054614 | 0.74 | — | — | |
| Acetic Acid SCHEMBL27859318 | 0.73 | FFAR3 (0.35) | — | |
| Bromide SCHEMBL30451480 | 0.73 | ALDH1A1 (0.31) | — | |
| Hydrochloric Acid SCHEMBL28157016 | 0.73 | ALDH1A1 (0.31) | — | |
| Bicarbonate SCHEMBL28061950 | 0.70 | CA1 (0.33) | — |
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-114507299-B | Method for extracting hemicellulose by adopting ammonium group modified neodymium iron boron magnetic particles | 昆明理工大学 | 2023-02-03 | — | — | CN | disclosed |
| CN-114507299-A | Method for extracting hemicellulose by adopting ammonium group modified neodymium iron boron magnetic particles | 昆明理工大学 | 2022-05-17 | — | — | CN | disclosed |