⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL14150247 | 0.73 | — | — | |
| SCHEMBL11917824 | 0.73 | — | — | |
| SCHEMBL935173 | 0.73 | — | — | |
| SCHEMBL6992015 | 0.69 | — | — | |
| SCHEMBL5066689 | 0.69 | — | — | |
| SCHEMBL13971286 | 0.69 | — | — | |
| SCHEMBL761708 | 0.66 | — | — | |
| SCHEMBL1760690 | 0.66 | — | — | |
| SCHEMBL576319 | 0.66 | — | — | |
| SCHEMBL19301355 | 0.66 | — | — |
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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-3959509-A | Flavoring foodstuffs using sulfur-containing compounds | INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) | 1976-05-25 | — | — | US | claimed |
| US-20180215687-A1 | SYNTHESIS OF ARYL COMPOUNDS | BOULOS & COOPER PHARMACEUTICALS PTY LTD (AU) | 2018-08-02 | — | — | US | disclosed |
| US-8318981-B2 | Imidate compound and use thereof for pest control | SUMITOMO CHEMICAL COMPANY, LIMITED (JP) | 2012-11-27 | — | — | US | disclosed |
| US-20100210683-A1 | IMIDATE COMPOUND AND USE THEREOF FOR PEST CONTROL | SUMITOMO CHEMICAL COMPANY LIMITED (JP) | 2010-08-19 | — | — | US | disclosed |
| US-4293579-A | Flavoring with 3,5-di-(2-methylpropyl)-1,2,4-trithiolane | INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) | 1981-10-06 | — | — | US | disclosed |
| US-4263331-A | FOODS, HAZELNUT | INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) | 1981-04-21 | — | — | US | disclosed |
| US-4259507-A | ROAST PORK FLAVOR | INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) | 1981-03-31 | — | — | US | disclosed |
| US-3959509-A | Flavoring foodstuffs using sulfur-containing compounds | INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) | 1976-05-25 | — | — | US | disclosed |