⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2105135 | 0.81 | — | — | |
| SCHEMBL382993 | 0.74 | — | — | |
| Hydrochloric Acid SCHEMBL28750736 | 0.71 | — | — | |
| SCHEMBL727620 | 0.71 | — | — | |
| SCHEMBL424207 | 0.64 | — | — | |
| Hydrochloric Acid SCHEMBL18245142 | 0.61 | ALDH1A1 (0.31) | — | |
| SCHEMBL471759 | 0.61 | MEN1 (0.36) | — | |
| SCHEMBL8204701 | 0.61 | MEN1 (0.36) | — | |
| Methyl Alcohol SCHEMBL10411216 | 0.60 | — | — | |
| SCHEMBL1897021 | 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 |
|---|---|---|---|---|---|---|---|
| US-8163804-B2 | Composition for preventing harmful organisms | MITSUI CHEMICALS, INC. (JP) | 2012-04-24 | — | — | US | disclosed |
| US-20090192167-A1 | Insecticidal and fungicidal composition | MITSUI CHEMICALS, INC. (JP) | 2009-07-30 | — | — | US | disclosed |
| US-20090162453-A1 | COMPOSITION FOR PREVENTING HARMFUL ORGANISMS | MITSUI CHEMICALS, INC (JP) | 2009-06-25 | — | — | US | disclosed |
| US-20090099204-A1 | Amide derivative, insecticide containing the same and method for application thereof as insecticide | MITSUI CHEMICALS, INC. (JP) | 2009-04-16 | — | — | US | disclosed |
| US-5780672-A | Process for the selective preparation of monofluoro derivatives | HOECHST AKTIENGESELLSCHAFT (DE) | 1998-07-14 | — | — | US | disclosed |