⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9580540 | 0.85 | NOS2 (0.33) | — | |
| SCHEMBL9190928 | 0.80 | AKR1C3 (0.33) | — | |
| SCHEMBL8846207 | 0.80 | AKR1C3 (0.33) | — | |
| SCHEMBL9516802 | 0.79 | RECQL (0.30) | — | |
| SCHEMBL9515751 | 0.79 | RECQL (0.30) | — | |
| SCHEMBL9515756 | 0.79 | RECQL (0.30) | — | |
| SCHEMBL9566130 | 0.77 | — | — | |
| SCHEMBL9566137 | 0.77 | — | — | |
| SCHEMBL9253964 | 0.76 | MMP1 (0.41) | — | |
| SCHEMBL9566168 | 0.75 | FAAH (0.39) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-5202356-A | Insecticides, miticides | THE WELLCOME FOUNDATION LIMITED (GB) | 1993-04-13 | — | — | US | claimed |
| US-5202356-A | Insecticides, miticides | THE WELLCOME FOUNDATION LIMITED (GB) | 1993-04-13 | — | — | US | disclosed |
| EP-0369762-A1 | Pesticides | ROUSSEL-UCLAF (FR) | 1990-05-23 | — | — | EP | disclosed |