⚠ 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 | |
|---|---|---|---|---|
| Water SCHEMBL28104109 | 0.97 | — | — | |
| SCHEMBL21510 | 0.97 | — | — | |
| Ammonia Solution, Strong SCHEMBL10534296 | 0.94 | — | — | |
| SCHEMBL3894439 | 0.94 | — | — | |
| SCHEMBL27282942 | 0.94 | — | — | |
| SCHEMBL3890046 | 0.94 | — | — | |
| SCHEMBL3400758 | 0.94 | — | — | |
| SCHEMBL3419974 | 0.94 | — | — | |
| SCHEMBL3889590 | 0.94 | — | — | |
| SCHEMBL27699102 | 0.94 | TP53 (0.48) | — |
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-105829329-A | Phosphinyl formamidine compounds, metal complexes, catalyst systems, and their use to oligomerize or polymerize olefins | 切弗朗菲利浦化学公司 | 2016-08-03 | — | — | CN | disclosed |