⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL10493589 | 0.79 | — | — | |
| SCHEMBL28328628 | 0.71 | — | — | |
| SCHEMBL4088485 | 0.71 | — | — | |
| SCHEMBL72671 | 0.71 | — | — | |
| SCHEMBL23581601 | 0.67 | — | — | |
| Water SCHEMBL27872089 | 0.67 | — | — | |
| SCHEMBL27512943 | 0.62 | TSHR (0.47) | — | |
| Ethyl Chloride SCHEMBL9715885 | 0.61 | — | — | |
| SCHEMBL1043058 | 0.61 | — | — | |
| Ethyl Chloride SCHEMBL1331389 | 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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-107001393-A | Novel N-aminoguanidinium metal complexes for film production and catalysis | 优美科股份公司及两合公司 | 2017-08-01 | — | — | CN | disclosed |
| CN-104341983-A | ONE POT BIOCATALYTIC PEROXIDE MEDIATED CURE | ROHM & HAAS | 2015-02-11 | — | — | CN | disclosed |
| US-5693799-A | Method of synthesizing an organophosphorus compound | NOVARTIS CORP. (US) | 1997-12-02 | — | — | US | disclosed |
| US-5488171-A | Phosphinate esters | CIBA-GEIGY CORPORATION (US) | 1996-01-30 | — | — | US | disclosed |
| EP-0614900-A1 | Phosphinate esters | CIBA-GEIGY AG (CH) | 1994-09-14 | — | — | EP | disclosed |