⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2253031 | 1.00 | — | — | |
| SCHEMBL2256300 | 1.00 | — | — | |
| Fluoride SCHEMBL7557874 | 0.96 | CA1 (0.33) | — | |
| Fluoride SCHEMBL7557871 | 0.96 | CA1 (0.33) | — | |
| SCHEMBL702806 | 0.95 | — | — | |
| Fluoride SCHEMBL3216899 | 0.91 | — | — | |
| Fluoride SCHEMBL11270216 | 0.91 | ALDH1A1 (0.32) | — | |
| SCHEMBL1258053 | 0.80 | — | — | |
| SCHEMBL2457046 | 0.60 | MGLL (0.40) | — | |
| SCHEMBL6926105 | 0.60 | MGLL (0.40) | — |
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 179 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2005105777-A1 | SUBSTITUTED THIOPHENE AMIDE COMPOUNDS FOR THE TREATMENT OF INFLAMMATION | PHARMACIA & UPJOHN COMPANY LLC (US) | 2005-11-10 | — | — | WO | claimed |
| US-6143774-A | DRUGS AS HYPOTENSIVE AGENTS | HOECHST MARION ROUSSEL (FR) | 2000-11-07 | — | — | US | claimed |
| EP-0861247-A1 | NOVEL IMIDAZOLE N-BENZYLDIOXOL DERIVATIVES, METHOD FOR PREPARING SAME, RESULTING INTERMEDIATES, PHARMACEUTICAL COMPOSITIONS AND USE OF SAID DERIVATIVES AS ENDOTHELIN ANTAGONISTS | HOECHST MARION ROUSSEL (FR) | 1998-09-02 | — | — | EP | claimed |
| WO-1997017339-A1 | NOVEL IMIDAZOLE N-BENZYLDIOXOL DERIVATIVES, METHOD FOR PREPARING SAME, RESULTING INTERMEDIATES, PHARMACEUTICAL COMPOSITIONS AND USE OF SAID DERIVATIVES AS ENDOTHELIN ANTAGONISTS | HOECHST MARION ROUSSEL (FR) | 1997-05-15 | — | — | WO | claimed |
| US-4614819-A | REACTING A THIOL ESTER COMPOUND WITH 7-AMINOCEPHALOSPORIN IN PRESENCE OF BORON TRIFLUORIDE | TOYAMA CHEMICAL CO., LTD. (JP) | 1986-09-30 | — | — | US | claimed |
| US-4438109-A | Tylosin derivatives | ZAIDAN HOJIN BISEIBUTSU KAGAKU KENKYU KAI (JP) | 1984-03-20 | — | — | US | claimed |
| US-4073930-A | Carbamoyloximes and oximes and insecticidal and miticidal compositions and methods employing them | UNION CARBIDE CORPORATION (US) | 1978-02-14 | — | — | US | claimed |
| US-4071627-A | 2-Oximino-tetrahydro-1,4-thiazin-5-one compounds and pesticidal carbamate derivatives | UNION CARBIDE CORPORATION (US) | 1978-01-31 | — | — | US | claimed |
| CN-112135830-B | Oxo-substituted compounds | 住友制药株式会社 | 2024-06-14 | — | — | CN | disclosed |
| EP-4371979-A1 | FORMAMIDE DERIVATIVE AND AGRICULTURAL OR HORTICULTURAL PLANT DISEASE CONTROL AGENT | Kumiai Chemical Industry Co., Ltd. (JP) | 2024-05-22 | — | — | EP | disclosed |
| WO-2024096066-A1 | CYCLIC PEPTIDE DERIVATIVE COMPOSITION FOR TREATING OR PREVENTING CENTRAL NERVOUS SYSTEM INJURY/DISEASE | 第一工業製薬株式会社 | 2024-05-10 | — | — | WO | disclosed |
| WO-2024096067-A1 | CYCLIC PEPTIDE DERIVATIVE COMPOSITION FOR TREATING OR PREVENTING NEUROPATHIC PAIN AND/OR INFLAMMATORY PAIN | 第一工業製薬株式会社 | 2024-05-10 | — | — | WO | disclosed |
| US-20240122941-A1 | THERAPY BASED ON SYNTHETIC LETHALITY IN SWI/SNF COMPLEX-DYSFUNCTION CANCER | NATIONAL CANCER CENTER (JP) | 2024-04-18 | — | — | US | disclosed |
| WO-2024071372-A1 | OXIDATIVE CLEAVAGE METHOD OF TROLOX AMIDE | 住友ファーマ株式会社 | 2024-04-04 | — | — | WO | disclosed |
| US-4729992-A | Cephalosporin esters, their production and use | TATSUO CHEMICAL IND., LTD. (JP) | 1988-03-08 | — | — | US | disclosed |
| US-4685961-A | CEREAL CROPS | CIBA-GEIGY CORPORATION (US) | 1987-08-11 | — | — | US | disclosed |
| EP-0159899-A2 | Cephalosporin esters, their production and use | Takeda Chemical Industries, Ltd. (JP) | 1985-10-30 | — | — | EP | disclosed |
| US-4438109-A | Tylosin derivatives | ZAIDAN HOJIN BISEIBUTSU KAGAKU KENKYU KAI (JP) | 1984-03-20 | — | — | US | disclosed |
| US-4073930-A | Carbamoyloximes and oximes and insecticidal and miticidal compositions and methods employing them | UNION CARBIDE CORPORATION (US) | 1978-02-14 | — | — | US | disclosed |
| US-4071627-A | 2-Oximino-tetrahydro-1,4-thiazin-5-one compounds and pesticidal carbamate derivatives | UNION CARBIDE CORPORATION (US) | 1978-01-31 | — | — | US | disclosed |