⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL28231036 | 0.83 | NPC1 (0.60) | — | |
| Formic Acid Phenyl Ester SCHEMBL5917638 | 0.81 | TSHR (0.39) | — | |
| SCHEMBL12218044 | 0.81 | RAD52 (0.48) | — | |
| SCHEMBL6454577 | 0.80 | ALDH1A1 (0.38) | — | |
| Quinoline SCHEMBL28454747 | 0.78 | ALDH1A1 (0.55) | — | |
| Formic Acid Phenyl Ester SCHEMBL27899095 | 0.77 | LMNA (0.36) | — | |
| SCHEMBL3589837 | 0.74 | — | — | |
| SCHEMBL2538992 | 0.74 | — | — | |
| SCHEMBL1343623 | 0.74 | — | — | |
| SCHEMBL2925077 | 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 103 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-110407884-B | Preparation method of water-soluble mononuclear ruthenium complex | 西北大学 | 2021-04-30 | — | — | CN | claimed |
| US-5250517-A | Hypotensive and cardiotonic agents; cardiac insufficiency | HOFFMANN-LA ROCHE INC. (US) | 1993-10-05 | — | — | US | claimed |
| US-20230202981-A1 | NOVEL SMALL MOLECULES FOR TARGETED DEGRADATION OF UNTARGETABLE KRAS IN CANCER THERAPY | PILLAI UNIVERSAL LLC | 2023-06-29 | — | — | US | disclosed |
| US-20230202981-A1 | NOVEL SMALL MOLECULES FOR TARGETED DEGRADATION OF UNTARGETABLE KRAS IN CANCER THERAPY | PILLAI UNIVERSAL LLC | 2023-06-29 | — | — | US | disclosed |
| US-20210309619-A1 | ISOXAZOLIN-5-ONE DERIVATIVES AND HERBICIDES CONTAINING THE SAME AS ACTIVE INGREDIENTS | HOKKO CHEMICAL INDUSTRY CO., LTD. (JP) | 2021-10-07 | — | — | US | disclosed |
| US-11109593-B2 | Isoxazolin-5-one derivative and herbicide containing same as active ingredient | HOKKO CHEMICAL INDUSTRY CO., LTD. (JP) | 2021-09-07 | — | — | US | disclosed |
| EP-3828176-A1 | ISOXAZOLIN-5-ONE DERIVATIVE, AND HERBICIDE CONTAINING SAME AS ACTIVE INGREDIENT | Hokko Chemical Industry Co., Ltd. (JP) | 2021-06-02 | — | — | EP | disclosed |
| CN-110407884-B | Preparation method of water-soluble mononuclear ruthenium complex | 西北大学 | 2021-04-30 | — | — | CN | disclosed |
| US-20200267985-A1 | ISOXAZOLIN-5-ONE DERIVATIVE AND HERBICIDE CONTAINING SAME AS ACTIVE INGREDIENT | HOKKO CHEMICAL INDUSTRY CO., LTD. (JP) | 2020-08-27 | — | — | US | disclosed |
| WO-2020022350-A1 | ISOXAZOLIN-5-ONE DERIVATIVE, AND HERBICIDE CONTAINING SAME AS ACTIVE INGREDIENT | 北興化学工業株式会社 | 2020-01-30 | — | — | WO | disclosed |
| CN-110191880-A | Isoxazolidin-5-one derivative and herbicide containing the same as active ingredient | 北兴化学工业株式会社 | 2019-08-30 | — | — | CN | disclosed |
| WO-2000011008-A1 | ASYMMETRIC CATALYSIS BASED ON CHIRAL PHOSPHOLANES | THE PENN STATE RESEARCH FOUNDATION (US) | 2000-03-02 | — | — | WO | disclosed |
| EP-0669322-B1 | Substituted sulfonamides, process for their preparation and pharmaceutical compositions containing them | ADIR (FR) | 1999-09-15 | — | — | EP | disclosed |
| CN-1207095-A | Protease inhibitors | SMITHKLINE BEECHAM CORP (US) | 1999-02-03 | — | — | CN | disclosed |
| US-5565457-A | FOR TREATMENT OF MYOCARDIAL ISCHEMIAS AND CEREBRAL VASCULAR DISORDERS | ADIR ET COMPAGNIE (FR) | 1996-10-15 | — | — | US | disclosed |
| EP-0669322-A1 | Substituted sulfonamides, process for their preparation and pharmaceutical compositions containing them | ADIR ET COMPAGNIE (FR) | 1995-08-30 | — | — | EP | disclosed |
| US-4309353-A | ANTI-ALLERGIC AGENTS | CIBA-GEIGY CORPORATION (US) | 1982-01-05 | — | — | US | disclosed |
| US-4221806-A | ANTIALLERGENS | CIBA-GEIGY CORPORATION (US) | 1980-09-09 | — | — | US | disclosed |
| US-4205082-A | ANTI-ALLERGIC AGENTS | CIBA-GEIGY CORPORATION (US) | 1980-05-27 | — | — | US | disclosed |
| US-RE29981-E | FROM FORMIC ESTERS | MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) | 1979-05-01 | — | — | US | disclosed |