⚠ 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 SCHEMBL3168096 | 0.97 | CA1 (0.36) | — | |
| Water SCHEMBL456925 | 0.97 | CA1 (0.36) | — | |
| SCHEMBL7758944 | 0.92 | BCL2L1 (0.39) | — | |
| SCHEMBL23467126 | 0.89 | NOS3 (0.43) | — | |
| SCHEMBL11543870 | 0.73 | TDP2 (0.43) | — | |
| SCHEMBL7771444 | 0.72 | CYP3A4 (0.38) | — | |
| Bromide SCHEMBL1656508 | 0.71 | CA1 (0.40) | — | |
| SCHEMBL3027928 | 0.71 | — | — | |
| SCHEMBL13499 | 0.71 | — | — | |
| SCHEMBL667921 | 0.69 | CES2 (0.36) | — |
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
Appears in 3495 patents — a generic fragment claimed broadly, so it's down-weighted as IP noise. Top by claim status then date:
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2025242747-A1 | MULTI -COMPONENT FORMULATIONS OF ORGANOMETALLIC REAGENTS | MERCK PATENT GMBH (DE) | 2025-11-27 | — | — | WO | claimed |
| 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-119060007-A | Preparation and application of fluorescence donor capable of controllably releasing hydrogen sulfide and carbon monoxide | 广西中医药大学 | 2024-12-03 | — | — | 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-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 |
| US-11751568-B2 | Picolinamide compounds with fungicidal activity | CORTEVA AGRISCIENCE LLC (US) | 2023-09-12 | — | — | US | claimed |
| CN-116410238-A | Sulfur-containing chiral bridged metallocene compound, and preparation and application thereof | 中国石油天然气股份有限公司 | 2023-07-11 | — | — | CN | claimed |
| US-20020062040-A1 | PRODUCTION METHOD OF CITALOPRAM, INTERMMEDIATE THEREFOR AND PRODUCTION METHOD OF THE INTERMEDIATE | SUMIKA FINE CHEMICALS CO., LTD. (JP) | 2002-05-23 | — | — | US | claimed |
| CN-1331685-A | Process for the preparation of citalopram | LUNDBECK & CO AS H (DK) | 2002-01-16 | — | — | CN | claimed |
| EP-1125907-A2 | Intermediates for the production of citalopram | SUMIKA FINE CHEMICALS Co., Ltd. (JP) | 2001-08-22 | — | — | EP | claimed |
| EP-1120397-A2 | Process for preparing triazole derivative | KANEGAFUCHI KAGAKU KOGYO KABUSHIKI KAISHA (JP) | 2001-08-01 | — | — | EP | claimed |
| WO-2001025201-A1 | PROCESS FOR THE PREPARATION OF PAROXETIN INTERMEDIATE | SMITHKLINE BEECHAM P.L.C. (GB) | 2001-04-12 | — | — | WO | 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 |
| EP-0704419-A1 | PROCESS FOR PRODUCING TRIAZOLE DERIVATIVE | KANEGAFUCHI KAGAKU KOGYO KABUSHIKI KAISHA (JP) | 1996-04-03 | — | — | EP | claimed |
| US-4956507-A | GRIGNARD REAGENTS FROM P-HALOFLUOROBENZENE AND MAGNESIUM COUPLING TO FORM P,P*-DIFLUOROBIPHENYL | PHILLIPS PETROLEUM COMPANY (US) | 1990-09-11 | — | — | US | claimed |
| US-4524221-A | REACTING A GRIGNARD REAGENT WITH SILYLATED CYANOHYDRIN, TREATING WITH AQUEOUS ACID | MINNESOTA MINING AND MANUFACTURING COMPANY (US) | 1985-06-18 | — | — | US | claimed |