⚠ 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 | |
|---|---|---|---|---|
| Iodide SCHEMBL10485960 | 0.96 | — | — | |
| Biphenyl SCHEMBL11854792 | 0.83 | CYP1A2 (0.70) | — | |
| 1,4-Dichlorobenzene SCHEMBL5191 | 0.78 | — | — | |
| 1,4-Dichlorobenzene SCHEMBL11243685 | 0.78 | — | — | |
| Biphenyl SCHEMBL11173135 | 0.77 | KDM4E (0.38) | — | |
| 1,4-Dichlorobenzene SCHEMBL6230506 | 0.74 | — | — | |
| 1,4-Dichlorobenzene SCHEMBL6228832 | 0.74 | — | — | |
| 1,4-Dichlorobenzene SCHEMBL6534336 | 0.74 | — | — | |
| 1,4-Dichlorobenzene SCHEMBL8166345 | 0.74 | — | — | |
| 1,4-Dichlorobenzene SCHEMBL11577097 | 0.74 | — | — |
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 275 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-116554009-B | Electrophilic cross-coupling reaction method of aryl sulfone or heteroaryl sulfone and aryl bromide | 南京工业大学 | 2024-05-28 | — | — | CN | claimed |
| CN-117362338-A | Method for preparing 3, 3-diaryl allyl substituted organic phosphonate compound | 湖南理工学院 | 2024-01-09 | — | — | CN | claimed |
| CN-114591128-B | Direct cross-coupling method of aryl sulfide salt and aryl bromide | 南京工业大学 | 2023-08-22 | — | — | CN | claimed |
| CN-116554009-A | Electrophilic cross-coupling reaction method of aryl sulfone or heteroaryl sulfone and aryl bromide | 南京工业大学 | 2023-08-08 | — | — | CN | claimed |
| CN-115974683-A | Method for synthesizing sitagliptin intermediate by using continuous flow | 南京天越星生物技术有限公司 | 2023-04-18 | — | — | CN | claimed |
| CN-115925743-A | Method for preparing (2-oxo-2-aryl ethyl) diaryl phosphine oxide compound | 湖南理工学院 | 2023-04-07 | — | — | CN | claimed |
| CN-113149882-B | Gem-difluoroolefin-pyrroline compound and preparation method and application thereof | 西南医科大学 | 2023-04-07 | — | — | CN | claimed |
| CN-114573422-B | Treatment method of 3-methyl-3-butene-1-ol process waste liquid | 万华化学集团股份有限公司 | 2023-03-21 | — | — | CN | claimed |
| CN-114940654-B | Method for synthesizing adiponitrile and adipate compound by reductive dimerization of olefin under photocatalysis | 武汉大学 | 2023-03-10 | — | — | CN | claimed |
| CN-114685251-B | Direct cross-coupling reaction method of diaryl sulfoxide and aryl bromide | 南京工业大学 | 2022-12-27 | — | — | CN | claimed |
| WO-2005010028-A1 | ALPHA-AMINO ACID BENZOTHIAZOLYLTHIO ESTER AS INTERMEDIATES FOR MANUFACTURE OF ACE INHIBITORS AND PROCESS FOR PREPARATION THEREOF | LUPIN LIMITED (IN) | 2005-02-03 | — | — | WO | claimed |
| CN-1099912-C | Process for preparation by hydrogenation of catalysts based on transition metal and phosphine | RHONE POULENC FIBRES (FR) | 2003-01-29 | — | — | CN | claimed |
| CN-1080265-C | Process for preparing 7-alkoxyalkyl-1, 2, 4-triazolo [1, 5-a ] pyrimidine derivatives | KNOLL AG (DE) | 2002-03-06 | — | — | CN | claimed |
| CN-1228093-A | Process for preparing 7-alkoxyalkyl-1, 2, 4-triazolo [1, 5-a ] pyrimidine derivatives | KNOLL AG (DE) | 1999-09-08 | — | — | CN | claimed |
| CN-1206357-A | Process for preparation by hydrogenation of catalysts based on transition metal and phosphine | RHONE POULENC FIBRES (FR) | 1999-01-27 | — | — | CN | claimed |
| CN-1023218-C | Process for carbonylation conjugated dienes | SHELL INT RESEARCH (NL) | 1993-12-22 | — | — | CN | claimed |
| CN-87107284-A | Process for the carbonylation of conjugated dienes | — | 1988-06-15 | — | — | CN | claimed |
| US-RE31812-E | TO ALDEHYDES IN PRESENCE OF CATALYTIC SYSTEM CONTAINING RHODIUM AND SULFONATED ARYL PHOSPHINE COMPOUND | RHONE-POULENC INDUSTRIES (FR) | 1985-01-22 | — | — | US | claimed |
| EP-0096905-A1 | Process for the preparation of glycol aldehyde | SHELL INTERNATIONALE RESEARCHMAATSCHAPPIJ B.V. (NL) | 1983-12-28 | — | — | EP | claimed |
| US-4248802-A | Catalytic hydroformylation of olefins | RHONE-POULENC INDUSTRIES (FR) | 1981-02-03 | — | — | US | claimed |