⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6901626 | 1.00 | — | — | |
| SCHEMBL6897298 | 1.00 | — | — | |
| SCHEMBL6897845 | 1.00 | — | — | |
| SCHEMBL6902582 | 1.00 | — | — | |
| SCHEMBL1238426 | 0.98 | CYP2D6 (0.38) | — | |
| SCHEMBL11903954 | 0.95 | CYP2D6 (0.43) | — | |
| SCHEMBL1238202 | 0.94 | CYP2D6 (0.43) | — | |
| SCHEMBL913008 | 0.93 | CYP2D6 (0.39) | — | |
| SCHEMBL1238048 | 0.89 | CYP2D6 (0.44) | — | |
| SCHEMBL1237594 | 0.86 | CYP2D6 (0.41) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-0194077-A1 | Improvements in or relating to pheromones | NATIONAL RESEARCH DEVELOPMENT CORPORATION (GB) | 1986-09-10 | — | — | EP | disclosed |
| WO-1986004897-A1 | IMPROVEMENTS IN OR RELATING TO PHEROMONES | NATIONAL RESEARCH DEVELOPMENT CORPORATION (GB) | 1986-08-28 | — | — | WO | disclosed |