⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL564320 | 0.97 | — | — | |
| SCHEMBL5078137 | 0.82 | — | — | |
| Ammonia Solution, Strong SCHEMBL833020 | 0.81 | — | — | |
| SCHEMBL18360934 | 0.80 | — | — | |
| SCHEMBL5075504 | 0.80 | CA1 (0.58) | — | |
| SCHEMBL28302064 | 0.80 | CA2 (0.33) | — | |
| SCHEMBL5138133 | 0.78 | CA1 (0.59) | — | |
| SCHEMBL6892441 | 0.78 | CA1 (0.59) | — | |
| Fluoride SCHEMBL28841705 | 0.78 | CA1 (0.56) | — | |
| SCHEMBL5081919 | 0.78 | CA1 (0.59) | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-100417324-C | Compsn. of agricultural pesticide and preparation method | UNIV BEIJING CHEMICAL (CN) | 2008-09-10 | — | — | CN | disclosed |
| CN-1695446-A | Compsn. of agricultural pesticide and preparation method | UNIV BEIJING CHEMICAL (CN) | 2005-11-16 | — | — | CN | disclosed |