⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4961177 | 0.72 | ALDH1A1 (0.46) | — | |
| SCHEMBL5810767 | 0.71 | MEN1 (0.34) | — | |
| SCHEMBL5816742 | 0.70 | ALDH1A1 (0.46) | — | |
| SCHEMBL1947897 | 0.69 | CBLB (0.32) | — | |
| SCHEMBL16493538 | 0.69 | CBLB (0.32) | — | |
| SCHEMBL16493534 | 0.69 | CBLB (0.32) | — | |
| SCHEMBL2793981 | 0.66 | CYSLTR1 (0.51) | — | |
| SCHEMBL8604002 | 0.66 | CNR2 (0.38) | — | |
| SCHEMBL2020026 | 0.61 | TDP1 (0.33) | — | |
| SCHEMBL3228023 | 0.60 | CNR2 (0.43) | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2006131782-A1 | PROCESS FOR THE MANUFACTURE OF METHYL-2-(3-(2-(7-CHLORO-2-QUINOLINYL-ETHENYL)-PHENYL)-3-OXOPROPYL) BENZOATE | GLADE ORGANICS PRIVATE LIMITED (IN) | 2006-12-14 | — | — | WO | disclosed |
| WO-2006131782-A1 | PROCESS FOR THE MANUFACTURE OF METHYL-2-(3-(2-(7-CHLORO-2-QUINOLINYL-ETHENYL)-PHENYL)-3-OXOPROPYL) BENZOATE | GLADE ORGANICS PRIVATE LIMITED (IN) | 2006-12-14 | — | — | WO | disclosed |