⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1917432 | 0.96 | — | — | |
| Cyanamide SCHEMBL11856501 | 0.87 | — | — | |
| SCHEMBL6651422 | 0.71 | — | — | |
| SCHEMBL28159857 | 0.69 | — | — | |
| SCHEMBL22699290 | 0.69 | — | — | |
| SCHEMBL24142114 | 0.69 | — | — | |
| SCHEMBL147541 | 0.69 | — | — | |
| SCHEMBL19891715 | 0.65 | — | — | |
| SCHEMBL8666073 | 0.65 | — | — | |
| SCHEMBL20208393 | 0.65 | — | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2012149093-A1 | 2-GUANIDINO-4-OXO-IMIDAZOLINE DERIVATIVES AS ANTIMALARIAL AGENTS, SYNTHESIS AND METHODS OF USE THEREOF | THE UNITED STATES OF AMERICA, as represented by THE SECRETARY OF ARMY (US) | 2012-11-01 | — | — | WO | disclosed |
| US-5006151-A | Herbicides | THE DOW CHEMICAL COMPANY (US) | 1991-04-09 | — | — | US | disclosed |
| US-4929268-A | HERBICIDES | THE DOW CHEMICAL COMPANY (US) | 1990-05-29 | — | — | US | disclosed |