⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8331374 | 0.94 | — | — | |
| SCHEMBL35645 | 0.94 | — | — | |
| SCHEMBL10984139 | 0.94 | ALDH1A1 (0.33) | — | |
| Water SCHEMBL10813182 | 0.91 | — | — | |
| Silicate SCHEMBL11231588 | 0.91 | ALDH1A1 (0.32) | — | |
| SCHEMBL2556443 | 0.91 | — | — | |
| Ammonia Solution, Strong SCHEMBL11411642 | 0.91 | — | — | |
| Alcohol SCHEMBL2876100 | 0.88 | — | — | |
| SCHEMBL9403015 | 0.86 | — | — | |
| Ethylene Glycol SCHEMBL283166 | 0.86 | ALDH1A1 (0.33) | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-108207993-A | A kind of Pesticidal combination and application containing fenbutatin oxide | 上海悦联生物科技有限公司 | 2018-06-29 | — | — | CN | claimed |
| CN-108207993-A | A kind of Pesticidal combination and application containing fenbutatin oxide | 上海悦联生物科技有限公司 | 2018-06-29 | — | — | CN | disclosed |
| EP-1299500-A2 | METHODS AND APPARATUSES FOR DELIVERING A VOLATILE COMPONENT VIA A CONTROLLED EXOTHERMIC REACTION | THE PROCTER & GAMBLE COMPANY (US) | 2003-04-09 | — | — | EP | disclosed |
| WO-2002005620-A2 | METHODS AND APPARATUSES FOR DELIVERING A VOLATILE COMPONENT VIA A CONTROLLED EXOTHERMIC REACTION | THE PROCTER & GAMBLE COMPANY (US) | 2002-01-24 | — | — | WO | disclosed |