⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8114212 | 0.75 | — | — | |
| SCHEMBL6421034 | 0.74 | MEN1 (0.33) | — | |
| SCHEMBL1933242 | 0.72 | MEN1 (0.43) | — | |
| SCHEMBL10900057 | 0.72 | MEN1 (0.43) | — | |
| SCHEMBL10432315 | 0.72 | MEN1 (0.43) | — | |
| Glutaral SCHEMBL28252308 | 0.69 | HIF1A (0.67) | — | |
| Glutaral SCHEMBL9393967 | 0.69 | HIF1A (0.56) | — | |
| SCHEMBL30445119 | 0.68 | CYP1A2 (0.52) | — | |
| Glutaral SCHEMBL27566525 | 0.68 | — | — | |
| SCHEMBL712527 | 0.67 | HTT (0.40) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-20180141898-A1 | PESTICIDALLY ACTIVE OXIME AND HYDRAZONE DERIVATIVES | SYNGENTA PARTICIPATIONS AG (CH) | 2018-05-24 | — | — | US | disclosed |