⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL17503650 | 0.80 | CES2 (0.32) | — | |
| SCHEMBL483034 | 0.78 | — | — | |
| SCHEMBL9799878 | 0.78 | — | — | |
| SCHEMBL1333665 | 0.74 | CES1 (0.52) | — | |
| SCHEMBL1727676 | 0.74 | CES2 (0.35) | — | |
| SCHEMBL7853009 | 0.73 | CES2 (0.37) | — | |
| SCHEMBL8964346 | 0.72 | CA2 (0.52) | — | |
| SCHEMBL9264805 | 0.72 | — | — | |
| SCHEMBL238714 | 0.70 | AKR1B1 (0.61) | — | |
| SCHEMBL8858040 | 0.70 | MEN1 (0.41) | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2011064789-A1 | IMPROVED PROCESS FOR THE PREPARATION OF HALO-DIALKOXYBENZENES | HIKAL LIMITED (IN) | 2011-06-03 | — | — | WO | disclosed |