⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL28326966 | 1.00 | — | — | |
| SCHEMBL29355775 | 1.00 | — | — | |
| SCHEMBL27578723 | 1.00 | — | — | |
| SCHEMBL8008129 | 1.00 | — | — | |
| SCHEMBL29375890 | 1.00 | — | — | |
| Water SCHEMBL617671 | 0.71 | — | — | |
| Hydrochloric Acid SCHEMBL10724477 | 0.71 | — | — | |
| Fluoride Ion SCHEMBL561455 | 0.71 | — | — | |
| Water SCHEMBL614746 | 0.71 | — | — | |
| Hydrochloric Acid SCHEMBL329963 | 0.71 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2025015216-A2 | METHODS AND SYSTEMS FOR ELECTROCHEMICAL PRECIPITATION OF BRUCITE FOR CARBON CAPTURE AND STORAGE | MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) | 2025-01-16 | — | — | WO | disclosed |
| CN-113280980-B | Target detection method and device | 中国原子能科学研究院 | 2022-07-01 | — | — | CN | disclosed |