⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL365968 | 0.97 | — | — | |
| Hydrochloric Acid SCHEMBL17845799 | 0.94 | — | — | |
| SCHEMBL29031644 | 0.47 | HSP90AA1 (0.33) | — | |
| Hydrazine SCHEMBL11330642 | 0.44 | HSP90AA1 (0.40) | — | |
| Hydrazine SCHEMBL414784 | 0.44 | — | — | |
| Fluoride SCHEMBL31379722 | 0.43 | — | — | |
| SCHEMBL8512657 | 0.41 | HSP90AA1 (0.36) | — | |
| SCHEMBL27007968 | 0.41 | HSP90AA1 (0.36) | — | |
| SCHEMBL1505178 | 0.41 | — | — | |
| SCHEMBL25412605 | 0.38 | — | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5028732-A | Herbicidally active amino diphenyl ethers | ROHM AND HAAS COMPANY (US) | 1991-07-02 | — | — | US | disclosed |
| US-4806682-A | Sulfonium salts of diphenyl ethers | ROHM AND HAAS COMPANY (US) | 1989-02-21 | — | — | US | disclosed |
| US-4693742-A | Herbicidal hydroxyamino phosphonic acids and derivatives | ROHM AND HASS COMPANY (US) | 1987-09-15 | — | — | US | disclosed |
| US-4584014-A | PREEMERGENCE HERBICIDES;CORN, WHEAT AND OATS | ROHM AND HAAS COMPANY (US) | 1986-04-22 | — | — | US | disclosed |