⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL134556 | 0.96 | — | — | |
| Ammonia Solution, Strong SCHEMBL29132417 | 0.92 | — | — | |
| SCHEMBL249117 | 0.80 | — | — | |
| Hydrochloric Acid SCHEMBL11623212 | 0.77 | — | — | |
| SCHEMBL26348120 | 0.77 | — | — | |
| SCHEMBL4427911 | 0.77 | — | — | |
| Fluoride SCHEMBL4806824 | 0.76 | ALDH1A1 (0.42) | — | |
| Pivalate SCHEMBL5462345 | 0.75 | — | — | |
| Bicarbonate SCHEMBL28226829 | 0.75 | ALDH1A1 (0.47) | — | |
| Trifluoroacetic Acid SCHEMBL23043250 | 0.75 | ALDH1A1 (0.42) | — |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-115819277-A | Preparation method of perfluoroisobutyronitrile | 浙江诺亚氟化工有限公司 | 2023-03-21 | — | — | CN | claimed |
| JP-56032426-A | — | — | None | — | — | JP | disclosed |
| US-6664431-B2 | Catalytic pyrolysis of halogenated acid; decarboxylation | Zakrytoe Aktsionernoe Obschestvo Nauchno-Proizvodstvennoe Obiedinenie “Pim-Invest” (RU) | 2003-12-16 | — | — | US | disclosed |
| EP-1285904-A1 | Process for producing fluorinated aliphatic compounds | Igumnov, Sergei Mikhailovich (RU) | 2003-02-26 | — | — | EP | disclosed |
| US-20020177742-A1 | Process for producing fluorinated aliphatic compounds | ZAKRYTOE AKTSIONERNOE OBSCHESTVO NAUCHNO-PROIZVODSTVENNOE OBIEDINENIE "PIM-INVEST" (RU) | 2002-11-28 | — | — | US | disclosed |
| JP-S5632426-A | PREPARATION OF PERFLUORO-ISOBUTYRIC ACID FLUORIDE AND/OR PERFLUORO-DIISOPROPYL KETONE | DAIKIN IND LTD | 1981-04-01 | — | — | JP | disclosed |