⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9203586 | 0.87 | — | — | |
| SCHEMBL10697258 | 0.84 | — | — | |
| SCHEMBL10697119 | 0.83 | — | — | |
| SCHEMBL9210686 | 0.82 | — | — | |
| SCHEMBL9399914 | 0.81 | CYP1A1 (0.33) | — | |
| SCHEMBL9400054 | 0.80 | — | — | |
| SCHEMBL10699981 | 0.80 | — | — | |
| SCHEMBL9214518 | 0.80 | NPC1 (0.35) | — | |
| SCHEMBL10700056 | 0.80 | — | — | |
| SCHEMBL9214921 | 0.79 | — | — |
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-0285342-A2 | Improvements relating to pesticides | THE WELLCOME FOUNDATION LIMITED (GB) | 1988-10-05 | — | — | EP | claimed |
| EP-0285342-A2 | Improvements relating to pesticides | THE WELLCOME FOUNDATION LIMITED (GB) | 1988-10-05 | — | — | EP | disclosed |