⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1930146 | 0.89 | — | — | |
| SCHEMBL12054244 | 0.89 | — | — | |
| SCHEMBL1276 | 0.89 | — | — | |
| SCHEMBL4636820 | 0.80 | — | — | |
| SCHEMBL55755 | 0.80 | — | — | |
| SCHEMBL7619632 | 0.80 | — | — | |
| Fluoride SCHEMBL20262209 | 0.80 | — | — | |
| SCHEMBL1149564 | 0.80 | — | — | |
| Phosphine SCHEMBL15477090 | 0.80 | — | — | |
| SCHEMBL7747559 | 0.80 | — | — |
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-2007017900-A2 | PREPARATION OF PARA DICHLOROBENZENE FROM BENZENE OR MONO CHLOROBENZENE | MANDAL SISIR KUMAR (IN) | 2007-02-15 | — | — | WO | claimed |
| WO-2007017900-A2 | PREPARATION OF PARA DICHLOROBENZENE FROM BENZENE OR MONO CHLOROBENZENE | MANDAL SISIR KUMAR (IN) | 2007-02-15 | — | — | WO | disclosed |