⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL17331 | 0.82 | — | — | |
| SCHEMBL28612417 | 0.80 | ALDH1A1 (0.42) | — | |
| SCHEMBL3124073 | 0.76 | ALDH1A1 (0.62) | — | |
| SCHEMBL7766675 | 0.76 | ALDH1A1 (0.86) | — | |
| SCHEMBL29163005 | 0.76 | — | — | |
| SCHEMBL30800909 | 0.76 | — | — | |
| Chloromethane SCHEMBL10466167 | 0.76 | — | — | |
| SCHEMBL756514 | 0.76 | — | — | |
| Ammonia Solution, Strong SCHEMBL9230728 | 0.76 | — | — | |
| Water SCHEMBL11627566 | 0.76 | — | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-104730130-B | Determine the preparation method of GPR70 acceptors and the electrochemica biological sensor of its aglucon interaction strength | 天津商业大学 | 2017-08-04 | — | — | CN | disclosed |
| US-7964028-B2 | Method and apparatus for selective capture of gas phase analytes using metal β-diketonate polymers | BATTELLE MEMORIAL INSTITUTE (US) | 2011-06-21 | — | — | US | disclosed |
| US-20100203652-A1 | Method and apparatus for selective capture of gas phase analytes using metal beta-diketonate polymers | BATTELLE MEMORIAL INSTITUTE (US) | 2010-08-12 | — | — | US | disclosed |