⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8967117 | 0.90 | SLC6A4 (0.33) | — | |
| SCHEMBL9400367 | 0.90 | SLC6A4 (0.33) | — | |
| SCHEMBL8967137 | 0.86 | SLC6A2 (0.30) | — | |
| SCHEMBL8967131 | 0.83 | SLC6A2 (0.31) | — | |
| SCHEMBL8967734 | 0.79 | MAOB (0.32) | — | |
| SCHEMBL8967153 | 0.79 | SLC6A4 (0.33) | — | |
| SCHEMBL9455335 | 0.74 | MMP1 (0.36) | — | |
| SCHEMBL9515299 | 0.74 | HPGD (0.40) | — | |
| SCHEMBL8967697 | 0.74 | RXRA (0.44) | — | |
| SCHEMBL8967736 | 0.73 | NPSR1 (0.38) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-0553081-B1 | PESTICIDES | ROUSSEL UCLAF (FR) | 1996-02-28 | — | — | EP | claimed |