⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL80284 | 0.97 | — | — | |
| Fluoride SCHEMBL28042444 | 0.94 | — | — | |
| Hydrochloric Acid SCHEMBL28746809 | 0.94 | ALDH1A1 (0.50) | — | |
| SCHEMBL27854464 | 0.94 | — | — | |
| Ammonia Solution, Strong SCHEMBL28740670 | 0.94 | — | — | |
| Hydrochloric Acid SCHEMBL28166160 | 0.94 | — | — | |
| Bromide SCHEMBL8637682 | 0.94 | — | — | |
| Water SCHEMBL28847958 | 0.94 | — | — | |
| SCHEMBL11702670 | 0.94 | — | — | |
| SCHEMBL2990625 | 0.94 | — | — |
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-111675614-B | Method for synthesizing 7-bromo-2,2-dimethylheptanoic acid ethyl ester | 爱斯特（成都）生物制药股份有限公司 | 2022-11-29 | — | — | CN | disclosed |
| CN-111675614-B | Method for synthesizing 7-bromo-2,2-dimethylheptanoic acid ethyl ester | 爱斯特（成都）生物制药股份有限公司 | 2022-11-29 | — | — | CN | disclosed |