⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1622 | 0.96 | — | — | |
| SCHEMBL29525203 | 0.96 | — | — | |
| SCHEMBL7026005 | 0.96 | — | — | |
| Fluoride SCHEMBL27504442 | 0.93 | CYP2A6 (0.57) | — | |
| SCHEMBL28116949 | 0.93 | — | — | |
| Fluoride SCHEMBL25376004 | 0.93 | CYP2A6 (0.57) | — | |
| SCHEMBL4600807 | 0.93 | — | — | |
| SCHEMBL27470752 | 0.93 | — | — | |
| Water SCHEMBL28292373 | 0.93 | — | — | |
| SCHEMBL8863391 | 0.91 | MAPK1 (0.52) | — |
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 1352 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-120058632-A | Method for synthesizing aprepitant intermediate through hydrogenation | 苏州乔贝迪医药科技有限公司 | 2025-05-30 | — | — | CN | claimed |
| CN-119798292-A | Polycyclic fusion molecule containing oxygen, boron and nitrogen coordination bonds and preparation method thereof | 华侨大学 | 2025-04-11 | — | — | CN | claimed |
| CN-119285931-A | Preparation method of polyarylether phosphine oxide intrinsic type room temperature phosphorescent material | 重庆理工大学 | 2025-01-10 | — | — | CN | claimed |
| CN-118908996-A | A composition containing C (sp2) P bond or C (sp)3) Process for preparing organic phosphine compound of-P bond | 烟台大学 | 2024-11-08 | — | — | CN | claimed |
| CN-114874080-B | Preparation method of 4,4' -difluorobenzophenone | 绍兴久孚新材料科技有限公司 | 2024-08-02 | — | — | CN | claimed |
| CN-114380870-B | Preparation method and application of homogeneous cobalt chloride/tetramethyl ethylenediamine complex solution | 山东东岳高分子材料有限公司 | 2024-06-28 | — | — | CN | claimed |
| CN-114409602-B | Method for synthesizing alpha-keto acid by using oxalyl chloride and Grignard reagent as raw materials | 武汉大学 | 2024-01-30 | — | — | CN | claimed |
| WO-2023124996-A1 | SULFUR-CONTAINING CHIRAL BRIDGED METALLOECENE COMPOUND, PREPARATION THEREOF, AND APPLICATION | 中国石油天然气股份有限公司 | 2023-07-06 | — | — | WO | claimed |
| CN-113620869-B | Preparation method of betrixaban | 江西同和药业股份有限公司 | 2023-04-18 | — | — | CN | claimed |
| CN-112409212-B | Preparation method of citalopram diol intermediate hydrobromide, citalopram diol intermediate hydrobromide and citalopram | 四川新迪医药化工有限公司 | 2023-03-14 | — | — | CN | claimed |
| US-20030153774-A1 | Process for the preparation of citalopram | PHARMACHEM TECHNOLOGIES LIMITED, (GB) | 2003-08-14 | — | — | US | claimed |
| US-20030130527-A1 | Process for the preparation of 1-(3-dimethylaminopropyl)-1-(4-fluorophenyl)-1,3-dihydroisobenzofuran-5-carbonitrile | ORION CORPORATION FERMION (FI) | 2003-07-10 | — | — | US | claimed |
| US-6579993-B2 | Halogenating 5-cyanophthalide to a cyanobenzeneacyl halide derivative reacted with organometallic 4-fluorophenyl halides and 4-fluorophenylboranes to a biphenyl ketone reacted with an organometallic 3-dimethylaminopropyl halide | ORION CORPORATION, FERMION (FI) | 2003-06-17 | — | — | US | claimed |
| WO-2003040121-A1 | METHODS FOR TREATING DEPRESSION AND OTHER CNS DISORDERS USING ENANTIOMERICALLY ENRICHED DESMETHYL- AND DIDESMETHYL-METABOLITES OF CITALOPRAM | SEPRACOR, INC. (US) | 2003-05-15 | — | — | WO | claimed |
| WO-2003029236-A1 | PROCESS FOR THE PREPARATION OF CITALOPRAM | PHARMACHEM TECHNOLOGIES LIMITED (GB) | 2003-04-10 | — | — | WO | claimed |
| US-20020115872-A1 | Process for the preparation of 1-(3-dimethylaminopropyl)-1-(4-Fluorophenyl)-1,3-dihydroisobenzofuran-5-carbonitrile | ORION CORPORATION FERMION (FI) | 2002-08-22 | — | — | US | claimed |
| WO-2002060886-A1 | PROCESS FOR THE PREPARATION OF 1-(3-DIMETHYLAMINOPROPYL)-1-(4-FLUOROPHENYL)-1,3-DIHYDROISOBENZOFURAN-5-CARBONITRILE | ORION CORPORATION, FERMION (FI) | 2002-08-08 | — | — | WO | claimed |
| CN-1331685-A | Process for the preparation of citalopram | LUNDBECK & CO AS H (DK) | 2002-01-16 | — | — | CN | claimed |
| EP-1064286-A1 | SYNTHESIS OF ARYL BORONIC ACIDS | BOULDER SCIENTIFIC COMPANY (US) | 2001-01-03 | — | — | EP | claimed |
| WO-1999064428-A1 | SYNTHESIS OF ARYL BORONIC ACIDS | BOULDER SCIENTIFIC COMPANY (US) | 1999-12-16 | — | — | WO | claimed |