⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6671537 | 0.87 | — | — | |
| SCHEMBL6918490 | 0.84 | CRHR1 (0.33) | — | |
| SCHEMBL6675536 | 0.82 | — | — | |
| SCHEMBL8474283 | 0.79 | ESR1 (0.37) | — | |
| SCHEMBL6684334 | 0.76 | — | — | |
| SCHEMBL8471279 | 0.76 | PDE4D (0.36) | — | |
| SCHEMBL6295365 | 0.75 | HSD11B1 (0.36) | — | |
| SCHEMBL7746904 | 0.75 | SLC34A1 (0.43) | — | |
| SCHEMBL7066608 | 0.75 | CCR4 (0.30) | — | |
| SCHEMBL9081380 | 0.74 | SLC34A1 (0.36) | — |
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-2004035563-A1 | 3-HETEROCYCLYLPYRIDINE DERIVATIVES USEFUL AS HERBICIDES | SYNGENTA PARTICIPATIONS AG (CH) | 2004-04-29 | — | — | WO | disclosed |