⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL27801321 | 0.82 | — | — | |
| SCHEMBL22720561 | 0.81 | — | — | |
| SCHEMBL8368601 | 0.79 | FDPS (0.48) | — | |
| SCHEMBL7527220 | 0.78 | — | — | |
| SCHEMBL11154564 | 0.77 | SMPD1 (0.50) | — | |
| SCHEMBL2197657 | 0.77 | SMPD1 (0.50) | — | |
| SCHEMBL28398962 | 0.77 | SMPD1 (0.50) | — | |
| SCHEMBL56859 | 0.76 | — | — | |
| SCHEMBL14094790 | 0.73 | — | — | |
| Ammonia Solution, Strong SCHEMBL8653760 | 0.73 | — | — |
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-116879455-A | Method for measuring fifteen quaternary ammonium salt disinfectant residues in dairy products | 杭州市食品药品检验研究院 | 2023-10-13 | — | — | CN | claimed |
| CN-116879455-A | Method for measuring fifteen quaternary ammonium salt disinfectant residues in dairy products | 杭州市食品药品检验研究院 | 2023-10-13 | — | — | CN | disclosed |
| US-20110003963-A1 | METHOD FOR THE PRODUCTION OF DIPICOLINATE | BASF SE | 2011-01-06 | — | — | US | disclosed |
| CN-1259159-A | Composition containing dithiocarbonate compound | KYOWA YUKA KK (JP) | 2000-07-05 | — | — | CN | disclosed |
| US-4178426-A | POLYETHER DIUREIDE AND 3-AMINOPROPYL DERIVATIVES OF ETHYLENEDIAMINE AS CURING AGENTS FOR POLYEPOXIDES | TEXACO DEVELOPMENT CORP. (US) | 1979-12-11 | — | — | US | disclosed |