⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL28089359 | 0.83 | TSHR (0.30) | — | |
| SCHEMBL29239646 | 0.70 | GAA (0.43) | — | |
| SCHEMBL2904257 | 0.69 | MAPT (0.34) | — | |
| SCHEMBL2898740 | 0.64 | TSHR (0.44) | — | |
| SCHEMBL2901699 | 0.63 | KMT2A (0.40) | — | |
| SCHEMBL28069484 | 0.63 | CCR5 (0.33) | — | |
| SCHEMBL5187579 | 0.60 | — | — | |
| SCHEMBL5187583 | 0.60 | — | — | |
| SCHEMBL5187578 | 0.60 | — | — | |
| SCHEMBL2903762 | 0.58 | ALDH1A1 (0.35) | — |
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-105801482-A | Method for preparing 1-cyclopropyl-4-oxo-7-bromine-8-difluoromethoxy-1,4-dihydro-quinoline-3-nonanoic acid-ethyl ester | 浙江中欣氟材股份有限公司 | 2016-07-27 | — | — | CN | claimed |
| CN-105777631-A | Synthesizing method of 1-cyclopropyl-4-oxo-7-bromo-8-difluoromethoxy-1,4-dihydro-quinoline-3-carboxylic acid ethyl ester | 浙江中欣氟材股份有限公司 | 2016-07-20 | — | — | CN | claimed |