⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL30411804 | 1.00 | — | — | |
| SCHEMBL14413 | 0.81 | — | — | |
| SCHEMBL29350499 | 0.81 | — | — | |
| SCHEMBL2913077 | 0.79 | ALDH1A1 (0.48) | — | |
| Methane SCHEMBL8873095 | 0.79 | ALDH1A1 (0.48) | — | |
| SCHEMBL29462675 | 0.79 | PKM (0.39) | — | |
| SCHEMBL15213955 | 0.79 | PKM (0.39) | — | |
| SCHEMBL6203814 | 0.79 | — | — | |
| SCHEMBL441585 | 0.79 | — | — | |
| SCHEMBL6731816 | 0.77 | CA3 (0.46) | — |
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 53 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1126833-A4 | OXADIAZOLE, THIADIAZOLE AND TRIAZOLE DERIVATIVES AND COMBINATORIAL LIBRARIES THEREOF | TREGA BIOSCIENCES INC (US) | 2004-09-08 | — | — | EP | claimed |
| EP-1150565-A1 | THIAZOLE DERIVATIVES AND COMBINATORIAL LIBRARIES THEREOF | LION bioscience AG (DE) | 2001-11-07 | — | — | EP | claimed |
| EP-1126833-A2 | OXADIAZOLE, THIADIAZOLE AND TRIAZOLE DERIVATIVES AND COMBINATORIAL LIBRARIES THEREOF | TREGA BIOSCIENCES, INC. (US) | 2001-08-29 | — | — | EP | claimed |
| WO-2000045635-A1 | THIAZOLE DERIVATIVES AND COMBINATORIAL LIBRARIES THEREOF | LION BIOSCIENCE AG (DE) | 2000-08-10 | — | — | WO | claimed |
| WO-2000025768-A1 | OXADIAZOLE, THIADIAZOLE AND TRIAZOLE DERIVATIVES AND COMBINATORIAL LIBRARIES THEREOF | TREGA BIOSCIENCES, INC. (US) | 2000-05-11 | — | — | WO | claimed |
| EP-0466698-A1 | PREPARATION OF 2-HALOFLUOROBENZENE | MALLINCKRODT, INC. (US) | 1992-01-22 | — | — | EP | claimed |
| WO-1990011987-A1 | PREPARATION OF 2-HALOFLUOROBENZENE | MALLINCKRODT, INC. (US) | 1990-10-18 | — | — | WO | claimed |
| US-4918251-A | Preparation of 2-halofluorobenzene | MALLINCKRODT, INC. (US) | 1990-04-17 | — | — | US | claimed |
| EP-4347610-A1 | THERMALLY ACTIVATED DELAYED FLUORESCENT PALLADIUM (II) COMPLEXES FOR OLED APPLICATIONS | Versitech Limited (CN) | 2024-04-10 | — | — | EP | disclosed |
| CN-112430234-B | Novel KRAS G12C protein inhibitor and preparation method and application thereof | 信达生物制药(苏州)有限公司 | 2023-04-28 | — | — | CN | disclosed |
| WO-2022253221-A1 | THERMALLY ACTIVATED DELAYED FLUORESCENT PALLADIUM (II) COMPLEXES FOR OLED APPLICATIONS | VERSITECH LIMITED (CN) | 2022-12-08 | — | — | WO | disclosed |
| US-11299457-B2 | Chemical compounds | GLAXOSMITHKLINE INTELLECTUAL PROPERTY (NO. 2) LIMITED (GB) | 2022-04-12 | — | — | US | disclosed |
| CN-112430234-A | Novel KRAS G12C protein inhibitor and preparation method and application thereof | 信达生物制药(苏州)有限公司 | 2021-03-02 | — | — | CN | disclosed |
| US-20200270210-A1 | CHEMICAL COMPOUNDS | GLAXOSMITHKLINE INTELLECTUAL PROPERTY (NO. 2) LIMITED | 2020-08-27 | — | — | US | disclosed |
| EP-0238272-B1 | INTERMEDIATES USEFUL IN THE PRODUCTION OF PESTICIDES | BTG INTERNATIONAL LIMITED (GB) | 1992-05-13 | — | — | EP | disclosed |
| EP-0466698-A1 | PREPARATION OF 2-HALOFLUOROBENZENE | MALLINCKRODT, INC. (US) | 1992-01-22 | — | — | EP | disclosed |
| US-5068403-A | INTERMEDIATES USEFUL IN THE PRODUCTION OF PESTICIDES | NATIONAL RESEARCH DEVELOPMENT CORPORATION (GB) | 1991-11-26 | — | — | US | disclosed |
| WO-1990011987-A1 | PREPARATION OF 2-HALOFLUOROBENZENE | MALLINCKRODT, INC. (US) | 1990-10-18 | — | — | WO | disclosed |
| US-4918251-A | Preparation of 2-halofluorobenzene | MALLINCKRODT, INC. (US) | 1990-04-17 | — | — | US | disclosed |
| EP-0238272-A2 | Intermediates useful in the production of pesticides | BTG INTERNATIONAL LIMITED (GB) | 1987-09-23 | — | — | EP | disclosed |