⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL85685 | 0.87 | — | — | |
| SCHEMBL3744698 | 0.77 | — | — | |
| SCHEMBL13891648 | 0.75 | — | — | |
| SCHEMBL26404 | 0.73 | — | — | |
| SCHEMBL2178206 | 0.73 | TTR (0.35) | — | |
| SCHEMBL11408907 | 0.73 | ALDH1A1 (0.44) | — | |
| SCHEMBL9684631 | 0.71 | — | — | |
| Ammonia Solution, Strong SCHEMBL27991631 | 0.71 | — | — | |
| SCHEMBL27626913 | 0.71 | — | — | |
| SCHEMBL4878358 | 0.71 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-108117526-A | A kind of alkynyl functionalization covalent organic frame material and its synthetic method and application | 中国科学院大连化学物理研究所 | 2018-06-05 | — | — | CN | disclosed |
| US-9044002-B2 | Method of controlling harmful arthropod, composition, and electrostatic spray device | SUMITOMO CHEMICAL COMPANY, LIMITED (JP) | 2015-06-02 | — | — | US | disclosed |
| EP-2613633-A1 | PEST CONTROLLING METHOD, COMPOSITION, ELECTROSTATIC SPRAY DEVICE AND USE THEREOF | Sumitomo Chemical Company Limited (JP) | 2013-07-17 | — | — | EP | disclosed |
| US-20120178807-A1 | METHOD OF CONTROLLING HARMFUL ARTHROPOD, COMPOSITION, AND ELECTROSTATIC SPRAY DEVICE | SUMITOMO CHEMICAL COMPANY, LIMITED | 2012-07-12 | — | — | US | disclosed |
| WO-2012033214-A1 | PEST CONTROLLING METHOD, COMPOSITION, ELECTROSTATIC SPRAY DEVICE AND USE THEREOF | SUMITOMO CHEMICAL COMPANY, LIMITED (JP) | 2012-03-15 | — | — | WO | disclosed |