⚠ 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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL7042703 | 0.97 | ACHE (0.36) | — | |
| Fluoride Ion SCHEMBL11620623 | 0.97 | ACHE (0.36) | — | |
| Ammonia Solution, Strong SCHEMBL29141741 | 0.97 | ACHE (0.36) | — | |
| SCHEMBL9418409 | 0.93 | ACHE (0.39) | — | |
| SCHEMBL5551583 | 0.78 | CYP2A6 (0.31) | — | |
| SCHEMBL1780996 | 0.78 | — | — | |
| SCHEMBL6140634 | 0.74 | CES2 (0.39) | — | |
| SCHEMBL29954595 | 0.72 | — | — | |
| SCHEMBL1047841 | 0.72 | — | — | |
| SCHEMBL4649309 | 0.71 | — | — |
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 14 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-1475471-A | 1-aryl-2 perluoro or polyfluoro phenyl ethylene and its derirative, its synthesis and application | 中国科学院上海有机化学研究所 | 2004-02-18 | — | — | CN | claimed |
| WO-1991013847-A1 | PROCESS FOR PREPARING CHLORO-DIFLUOROBENZENE | ISC CHEMICALS LIMITED (GB) | 1991-09-19 | — | — | WO | claimed |
| EP-0447259-A1 | Process for preparing chloro-difluorobenzene | ISC CHEMICALS LIMITED (GB) | 1991-09-18 | — | — | EP | claimed |
| CN-119552049-A | Preparation method of o-difluorobenzene | 中国科学院过程工程研究所 | 2025-03-04 | — | — | CN | disclosed |
| CN-114426510-B | Synthesis method of fully substituted beta-lactam | 常州大学 | 2024-01-23 | — | — | CN | disclosed |
| CN-113024430-A | Process for converting substituted arylamines to arylazomethylsulfones | 天津师范大学 | 2021-06-25 | — | — | CN | disclosed |
| CN-110357827-A | 2,3,5, 6-tetrasubstituted-3H-1, 2, 4-triazine derivative and synthetic method thereof | 南京师范大学 | 2019-10-22 | — | — | CN | disclosed |
| EP-3080852-B1 | CHEMICALLY MODIFIED REDUCED GRAPHENE OXIDE AS A SEPARATOR MATERIAL IN SULFUR-CONTAINING BATTERIES | KEMIJSKI INST (SI) | 2018-02-21 | — | — | EP | disclosed |
| EP-3080852-A1 | CHEMICALLY MODIFIED REDUCED GRAPHENE OXIDE AS A SEPARATOR MATERIAL IN SULFUR-CONTAINING BATTERIES | Kemijski Institut (SI) | 2016-10-19 | — | — | EP | disclosed |
| US-20150191493-A1 | NEW PROCESS FOR PREPARING ARYLBORANES BY ARYLATION OF ORGANOBORON COMPOUNDS | Universite de Bordeaux (FR) | 2015-07-09 | — | — | US | disclosed |
| WO-2012150281-A1 | PREPARATION OF 3,3-DIALKXOY-1-METHYLENEPROPYL ARENES | LONZA LTD (CH) | 2012-11-08 | — | — | WO | disclosed |
| CN-102557902-A | Preparation method for 5-fluorosalicylaldehyde | SHANGHAI SINOFLUORO SCIENT CO | 2012-07-11 | — | — | CN | disclosed |
| US-7902381-B2 | Synthesising method and benzoxathiepine intermediates | PIERRE FABRE MEDICAMENT (FR) | 2011-03-08 | — | — | US | disclosed |
| US-20080234499-A1 | Synthesising Method and Benzoxathiepine Intermediates | PIERRE FABRE MEDICAMENT (FR) | 2008-09-25 | — | — | US | disclosed |