⚠ 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 | |
|---|---|---|---|---|
| N,N-Dimethylethanaminium SCHEMBL11382240 | 0.83 | — | — | |
| SCHEMBL190331 | 0.82 | — | — | |
| SCHEMBL1794483 | 0.82 | — | — | |
| N,N-Dimethylethanaminium SCHEMBL28458386 | 0.80 | — | — | |
| Formamide SCHEMBL28155922 | 0.80 | — | — | |
| Formamide SCHEMBL20721941 | 0.78 | — | — | |
| Formamide SCHEMBL8720755 | 0.76 | ALDH1A1 (0.35) | — | |
| Trimethylammonium SCHEMBL27422984 | 0.73 | — | — | |
| Propane SCHEMBL27347323 | 0.73 | — | — | |
| Formamide SCHEMBL28197551 | 0.71 | ALDH1A1 (0.32) | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-104981160-A | Pesticidal compositions and methods related thereto | DOW AGROSCIENCES LLC | 2015-10-14 | — | — | CN | disclosed |