⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8463422 | 0.98 | — | — | |
| SCHEMBL4449415 | 0.80 | — | — | |
| SCHEMBL8465932 | 0.74 | — | — | |
| SCHEMBL4190994 | 0.71 | — | — | |
| SCHEMBL900796 | 0.71 | KDM4E (0.31) | — | |
| SCHEMBL4017 | 0.71 | — | — | |
| SCHEMBL6653152 | 0.70 | — | — | |
| SCHEMBL5782230 | 0.70 | — | — | |
| SCHEMBL7281695 | 0.70 | — | — | |
| SCHEMBL8467075 | 0.70 | — | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-1339432-A | Extracting method for substituted phenyl compounds | ROHM & HAAS (US) | 2002-03-13 | — | — | CN | disclosed |
| CN-1070175-C | Process for the preparation of 2, 6-disubstituted benzenesulfonates or 2, 6-disubstituted benzenesulfonates further substituted in the 3-, 4-or 5-position | ROHM & HAAS (US) | 2001-08-29 | — | — | CN | disclosed |
| CN-1174189-A | Process for preparing substituted benzene compounds | ROHM & HAAS (US) | 1998-02-25 | — | — | CN | disclosed |