⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2105406 | 0.78 | — | — | |
| SCHEMBL2106590 | 0.78 | — | — | |
| SCHEMBL2105525 | 0.77 | ALDH1A1 (0.31) | — | |
| SCHEMBL2105885 | 0.77 | ALDH1A1 (0.32) | — | |
| SCHEMBL2107726 | 0.77 | ESR1 (0.32) | — | |
| SCHEMBL2105940 | 0.76 | — | — | |
| SCHEMBL2105523 | 0.76 | HSD11B1 (0.32) | — | |
| SCHEMBL2105571 | 0.76 | GNRHR (0.31) | — | |
| SCHEMBL2103081 | 0.75 | — | — | |
| SCHEMBL2106045 | 0.75 | TGFBR1 (0.31) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-8563736-B2 | Amide derivatives, process for preparation thereof and use thereof as insecticide | MITSUI CHEMICALS, INC. (JP) | 2013-10-22 | — | — | US | disclosed |
| US-8163804-B2 | Composition for preventing harmful organisms | MITSUI CHEMICALS, INC. (JP) | 2012-04-24 | — | — | US | disclosed |
| US-20090162453-A1 | COMPOSITION FOR PREVENTING HARMFUL ORGANISMS | MITSUI CHEMICALS, INC (JP) | 2009-06-25 | — | — | US | disclosed |