⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7980643 | 0.71 | TSHR (0.36) | — | |
| SCHEMBL7964500 | 0.69 | MEN1 (0.36) | — | |
| SCHEMBL7964481 | 0.66 | ALDH1A1 (0.31) | — | |
| SCHEMBL7964514 | 0.65 | TSHR (0.31) | — | |
| SCHEMBL7978010 | 0.64 | DRD2 (0.32) | — | |
| SCHEMBL7980627 | 0.62 | — | — | |
| SCHEMBL8878968 | 0.58 | HTT (0.44) | — | |
| SCHEMBL9378956 | 0.57 | TSHR (0.59) | — | |
| SCHEMBL10423074 | 0.57 | GRM5 (0.39) | — | |
| SCHEMBL9383001 | 0.56 | KMO (0.61) | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2001030782-A2 | NOVEL HERBICIDES | SYNGENTA PARTICIPATIONS AG (CH) | 2001-05-03 | — | — | WO | disclosed |