⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3986623 | 0.81 | CA2 (0.40) | — | |
| SCHEMBL37874 | 0.72 | CA2 (0.56) | — | |
| SCHEMBL28511453 | 0.72 | CA2 (0.56) | — | |
| SCHEMBL4457449 | 0.72 | CA2 (0.56) | — | |
| SCHEMBL14973911 | 0.71 | CA2 (0.50) | — | |
| Hydroxyamine SCHEMBL31697696 | 0.71 | CA2 (0.55) | — | |
| Methylamine SCHEMBL30531790 | 0.71 | CA2 (0.48) | — | |
| SCHEMBL2901947 | 0.69 | CA2 (0.60) | — | |
| SCHEMBL23886640 | 0.69 | CA2 (0.53) | — | |
| SCHEMBL9982903 | 0.69 | CA2 (0.53) | — |
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 89 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-113387771-A | Preparation method of chiral fluoroalkyl ternary carbocyclic compound | 东北师范大学 | 2021-09-14 | — | — | CN | claimed |
| JP-3098772-B2 | — | — | 2000-10-16 | — | — | JP | claimed |
| EP-0527851-B1 | 1H-SUBSTITUTED-1,2,4-TRIAZOLE COMPOUNDS FOR TREATMENT OF CARDIOVASCULAR DISORDERS | SEARLE & CO (US) | 1998-12-23 | — | — | EP | claimed |
| EP-0527851-A1 | 1H-SUBSTITUTED-1,2,4-TRIAZOLE COMPOUNDS FOR TREATMENT OF CARDIOVASCULAR DISORDERS | G.D. SEARLE & CO. (US) | 1993-02-24 | — | — | EP | claimed |
| WO-1991017148-A1 | 1H-SUBSTITUTED-1,2,4-TRIAZOLE COMPOUNDS FOR TREATMENT OF CARDIOVASCULAR DISORDERS | G.D. SEARLE & CO. (US) | 1991-11-14 | — | — | WO | claimed |
| CN-120505631-A | Preparation method for electrochemically synthesizing 3-trifluoromethyl quinoxalinone compound | 上海电力大学 | 2025-08-19 | — | — | CN | disclosed |
| CN-115872992-B | Agrocybenine alkaloid analogue, and preparation method and application thereof | 江苏医药职业学院 | 2024-07-30 | — | — | CN | disclosed |
| CN-115872992-A | Agrocybe alkaloid analogue and preparation method and application thereof | 江苏医药职业学院 | 2023-03-31 | — | — | CN | disclosed |
| CN-113481524-B | Preparation method for electrochemically synthesizing 3-trifluoromethyl coumarin compound | 上海电力大学 | 2022-10-21 | — | — | CN | disclosed |
| CN-113481524-B | Preparation method for electrochemically synthesizing 3-trifluoromethyl coumarin compound | 上海电力大学 | 2022-10-21 | — | — | CN | disclosed |
| EP-4006921-A2 | BIO-ELECTRODE COMPOSITION, BIO-ELECTRODE, METHOD FOR MANUFACTURING BIO-ELECTRODE, AND REACTION COMPOSITE | Shin-Etsu Chemical Co., Ltd. (JP) | 2022-06-01 | — | — | EP | disclosed |
| CN-113481524-A | Preparation method for electrochemically synthesizing 3-trifluoromethyl coumarin compound | 上海电力大学 | 2021-10-08 | — | — | CN | disclosed |
| US-5098920-A | Hypotensive agents and treatment of congestive heart failure | G. D. SEARLE & CO. (US) | 1992-03-24 | — | — | US | disclosed |
| WO-1991017148-A1 | 1H-SUBSTITUTED-1,2,4-TRIAZOLE COMPOUNDS FOR TREATMENT OF CARDIOVASCULAR DISORDERS | G.D. SEARLE & CO. (US) | 1991-11-14 | — | — | WO | disclosed |
| WO-1991000277-A1 | SUBSTITUTED IMIDAZOLES | E.I. DU PONT DE NEMOURS AND COMPANY (US) | 1991-01-10 | — | — | WO | disclosed |
| WO-1991000281-A2 | FUSED-RING ARYL SUBSTITUTED IMIDAZOLES | E.I. DU PONT DE NEMOURS AND COMPANY (US) | 1991-01-10 | — | — | WO | disclosed |
| US-4952233-A | PRE-AND POSTEMERGENCE | BAYER AKTIENGESELLSCHAFT (DE) | 1990-08-28 | — | — | US | disclosed |
| WO-1989006233-A1 | ANGIOTENSIN II RECEPTOR BLOCKING IMIDAZOLES AND COMBINATIONS THEREOF WITH DIURETICS AND NSAIDS | E.I. DU PONT DE NEMOURS AND COMPANY (US) | 1989-07-13 | — | — | WO | disclosed |
| EP-0302378-A2 | Sulphonylaminoguanidino azines | BAYER AG (DE) | 1989-02-08 | — | — | EP | disclosed |
| EP-0253310-A2 | Angiotensin II receptor blocking imidazoles | E.I. DU PONT DE NEMOURS AND COMPANY (US) | 1988-01-20 | — | — | EP | disclosed |