⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8003665 | 0.80 | CYP1A2 (0.33) | — | |
| SCHEMBL16491161 | 0.72 | — | — | |
| SCHEMBL20727002 | 0.72 | — | — | |
| SCHEMBL20311405 | 0.62 | — | — | |
| SCHEMBL11641698 | 0.62 | — | — | |
| SCHEMBL1660122 | 0.62 | CARM1 (0.31) | — | |
| SCHEMBL12329935 | 0.58 | — | — | |
| SCHEMBL24200443 | 0.58 | — | — | |
| SCHEMBL21211182 | 0.58 | — | — | |
| SCHEMBL19866287 | 0.58 | — | — |
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-2021226234-A1 | SUBSTITUTED TOLYL FUNGICIDES AND THEIR MIXTURES | FMC CORPORATION (US) | 2021-11-11 | — | — | WO | disclosed |