⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2760102 | 0.77 | ALDH1A1 (0.39) | — | |
| SCHEMBL15544425 | 0.74 | — | — | |
| SCHEMBL24384622 | 0.74 | ALDH1A1 (0.40) | — | |
| SCHEMBL11747225 | 0.74 | OXER1 (0.40) | — | |
| SCHEMBL4809291 | 0.72 | — | — | |
| SCHEMBL10042795 | 0.72 | ALDH1A1 (0.50) | — | |
| SCHEMBL11506422 | 0.72 | — | — | |
| SCHEMBL17212823 | 0.70 | — | — | |
| SCHEMBL12396582 | 0.70 | ALDH1A1 (0.46) | — | |
| SCHEMBL6997116 | 0.70 | — | — |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-112979443-A | Continuous preparation method of trifluoromethyl butenone derivative | 浙江蓝天环保高科技股份有限公司 | 2021-06-18 | — | — | CN | claimed |
| CN-101024634-A | Fluorine-contained dihydrofuran and its synthesizing method | UNIV SHANGHAI (CN) | 2007-08-29 | — | — | CN | claimed |
| CN-112979443-A | Continuous preparation method of trifluoromethyl butenone derivative | 浙江蓝天环保高科技股份有限公司 | 2021-06-18 | — | — | CN | disclosed |
| CN-107108441-A | Including at least two distilation steps with the distillating method of the carboxylic acid halide of the halogenation that obtains purifying and the purposes of the carboxylic acid halide of the halogenation of the purifying | 索尔维公司 | 2017-08-29 | — | — | CN | disclosed |
| CN-107001231-A | Including at least two distilation steps with the distillating method of the carboxylic acid halide of the halogenation that obtains purifying and the purposes of the carboxylic acid halide of the halogenation of the purifying | 索尔维公司 | 2017-08-01 | — | — | CN | disclosed |
| CN-101024634-A | Fluorine-contained dihydrofuran and its synthesizing method | UNIV SHANGHAI (CN) | 2007-08-29 | — | — | CN | disclosed |
| US-5362477-A | 19F magnetic resonance imaging agents which include a nitroxide moiety | MALLINCKRODT MEDICAL, INC. (US) | 1994-11-08 | — | — | US | disclosed |