⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL425800 | 0.94 | — | — | |
| Methane SCHEMBL9232564 | 0.91 | — | — | |
| Hydrochloric Acid SCHEMBL27825877 | 0.91 | — | — | |
| SCHEMBL28674601 | 0.91 | — | — | |
| SCHEMBL9479022 | 0.91 | — | — | |
| SCHEMBL27844936 | 0.91 | — | — | |
| SCHEMBL28202358 | 0.91 | — | — | |
| SCHEMBL7922634 | 0.86 | — | — | |
| Acrylic Acid SCHEMBL28605823 | 0.86 | LMNA (0.56) | — | |
| Ethylene Glycol SCHEMBL8563937 | 0.83 | TSHR (0.52) | — |
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-109232240-B | Method for synthesizing chloroacrylic acid fluoroalcohol ester | 上海克琴科技有限公司 | 2022-01-04 | — | — | CN | disclosed |