⚠ 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 SCHEMBL20838827 | 1.00 | — | — | |
| Water SCHEMBL28908591 | 1.00 | — | — | |
| Water SCHEMBL29169974 | 1.00 | — | — | |
| SCHEMBL150015 | 1.00 | — | — | |
| SCHEMBL28089768 | 0.89 | — | — | |
| Hydrochloric Acid SCHEMBL27937232 | 0.89 | — | — | |
| SCHEMBL3714025 | 0.89 | — | — | |
| Methane SCHEMBL27363688 | 0.89 | — | — | |
| SCHEMBL27478439 | 0.89 | — | — | |
| Ammonia Solution, Strong SCHEMBL27460668 | 0.89 | — | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-113372478-A | Aldehyde group functionalized cycloolefin-ethylene copolymer and preparation method thereof | 万华化学集团股份有限公司 | 2021-09-10 | — | — | CN | disclosed |