⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8308298 | 0.87 | — | — | |
| SCHEMBL8312392 | 0.84 | — | — | |
| SCHEMBL8308537 | 0.81 | THRA (0.33) | — | |
| SCHEMBL8311738 | 0.81 | THRB (0.36) | — | |
| SCHEMBL8307218 | 0.77 | — | — | |
| SCHEMBL8309079 | 0.76 | — | — | |
| SCHEMBL8389663 | 0.71 | SMN1; SMN2 (0.36) | — | |
| SCHEMBL6443091 | 0.71 | NPC1 (0.35) | — | |
| SCHEMBL6746643 | 0.70 | ERCC5 (0.36) | — | |
| SCHEMBL8494921 | 0.69 | SMN1; SMN2 (0.35) | — |
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-0918056-A1 | Herbicides | RHONE-POULENC AGRICULTURE LTD. (GB) | 1999-05-26 | — | — | EP | disclosed |