⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7821139 | 0.80 | KDM4E (0.34) | — | |
| SCHEMBL7819595 | 0.73 | — | — | |
| SCHEMBL7819149 | 0.65 | HTT (0.31) | — | |
| SCHEMBL7811684 | 0.64 | HTT (0.31) | — | |
| SCHEMBL7810779 | 0.55 | KDM4E (0.36) | — | |
| SCHEMBL28922159 | 0.55 | KDM4E (0.46) | — | |
| SCHEMBL8871978 | 0.53 | MEN1 (0.46) | — | |
| SCHEMBL8026746 | 0.51 | MAP2K2 (0.38) | — | |
| SCHEMBL21410740 | 0.51 | TRPV4 (0.30) | — | |
| SCHEMBL16405336 | 0.51 | MEN1 (0.55) | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6271392-B1 | Intermediates useful for the synthesis of 1-arylpyrrole pesticides | RHONE-POULENC INC. | 2001-08-07 | — | — | US | claimed |
| EP-0708090-A1 | Intermediates useful for the synthesis of pesticides | RHONE-POULENC AGROCHIMIE (FR) | 1996-04-24 | — | — | EP | claimed |
| US-6271392-B1 | Intermediates useful for the synthesis of 1-arylpyrrole pesticides | RHONE-POULENC INC. | 2001-08-07 | — | — | US | disclosed |
| EP-0708090-A1 | Intermediates useful for the synthesis of pesticides | RHONE-POULENC AGROCHIMIE (FR) | 1996-04-24 | — | — | EP | disclosed |