⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL29642003 | 0.87 | — | — | |
| SCHEMBL10523237 | 0.75 | — | — | |
| Bromide SCHEMBL11685842 | 0.75 | — | — | |
| Hydrochloric Acid SCHEMBL565954 | 0.75 | — | — | |
| Iodide SCHEMBL5283556 | 0.75 | — | — | |
| Water SCHEMBL1122242 | 0.75 | — | — | |
| Tetramethylammonium Ion SCHEMBL909223 | 0.67 | CHRNB2 (0.80) | — | |
| SCHEMBL150753 | 0.58 | — | — | |
| SCHEMBL4368546 | 0.58 | — | — | |
| SCHEMBL6402151 | 0.58 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-20060276339-A1 | Methods and compositions for increasing the efficacy of biologically-active ingredients | BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM | 2006-12-07 | — | — | US | disclosed |
| US-4018926-A | Alkyl 4-[o-(substituted methyleneamino)-phenyl]-3-thioallophanate miticides and fungicides | E. I. DU PONT DE NEMOURS AND COMPANY (US) | 1977-04-19 | — | — | US | disclosed |
| US-4011213-A | FUNGICIDES, MITE OVICIDES | E. I. DU PONT DE NEMOURS AND COMPANY (US) | 1977-03-08 | — | — | US | disclosed |
| US-3958007-A | FUNGICIDES, MITE OVICIDES | E. I. DU PONT DE NEMOURS AND COMPANY (US) | 1976-05-18 | — | — | US | disclosed |
| US-3950391-A | FUNGICIDES, MITICIDES, OVICIDES | ADAMS CHARLES D | 1976-04-13 | — | — | US | disclosed |