⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2925168 | 0.83 | — | — | |
| SCHEMBL20495492 | 0.82 | — | — | |
| SCHEMBL27831921 | 0.82 | — | — | |
| SCHEMBL26913115 | 0.80 | — | — | |
| SCHEMBL1964113 | 0.80 | — | — | |
| SCHEMBL27630468 | 0.78 | — | — | |
| SCHEMBL4275360 | 0.78 | — | — | |
| SCHEMBL6970368 | 0.78 | — | — | |
| SCHEMBL25218509 | 0.77 | ALDH1A1 (0.31) | — | |
| SCHEMBL29008890 | 0.77 | — | — |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-219682496-U | Bromo-pyrazole formic acid bromo-reaction device | 乐平荣凯科技有限公司 | 2023-09-15 | — | — | CN | claimed |
| CN-219400129-U | Bromo-pyrazole formic acid cyclization reaction kettle | 浙江荣凯科技发展股份有限公司 | 2023-07-25 | — | — | CN | claimed |
| CN-219682496-U | Bromo-pyrazole formic acid bromo-reaction device | 乐平荣凯科技有限公司 | 2023-09-15 | — | — | CN | disclosed |
| CN-219400129-U | Bromo-pyrazole formic acid cyclization reaction kettle | 浙江荣凯科技发展股份有限公司 | 2023-07-25 | — | — | CN | disclosed |
| CN-219400129-U | Bromo-pyrazole formic acid cyclization reaction kettle | 浙江荣凯科技发展股份有限公司 | 2023-07-25 | — | — | CN | disclosed |