⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6429831 | 0.77 | ALDH1A1 (0.41) | — | |
| SCHEMBL11785358 | 0.72 | — | — | |
| SCHEMBL22171773 | 0.71 | — | — | |
| SCHEMBL8018919 | 0.71 | — | — | |
| SCHEMBL11500936 | 0.69 | — | — | |
| SCHEMBL5653637 | 0.69 | — | — | |
| SCHEMBL5653639 | 0.69 | — | — | |
| Hydrochloric Acid SCHEMBL8751699 | 0.68 | KDM1A (0.35) | — | |
| Hydrochloric Acid SCHEMBL8751696 | 0.68 | KDM1A (0.35) | — | |
| Bromide SCHEMBL7621816 | 0.68 | KISS1R (0.34) | — |
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 |