⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL29089 | 1.00 | — | — | |
| SCHEMBL7969662 | 1.00 | — | — | |
| Ammonia Solution, Strong SCHEMBL5211569 | 0.98 | SMN1; SMN2 (0.96) | — | |
| Hydrochloric Acid SCHEMBL28432481 | 0.98 | SMN1; SMN2 (0.96) | — | |
| SCHEMBL28197580 | 0.98 | SMN1; SMN2 (0.96) | — | |
| SCHEMBL28958239 | 0.98 | SMN1; SMN2 (0.96) | — | |
| Water SCHEMBL11082954 | 0.98 | SMN1; SMN2 (0.96) | — | |
| Propane SCHEMBL27655744 | 0.98 | SMN1; SMN2 (0.96) | — | |
| Water SCHEMBL27710978 | 0.98 | SMN1; SMN2 (0.96) | — | |
| SCHEMBL15678743 | 0.96 | SMN1; SMN2 (0.92) | — |
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 84 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20230399314-A1 | CD73 INHIBITOR AND USE THEREOF | Wuhan Humanwell Innovative Drug Research and Development Center Limited Company (CN) | 2023-12-14 | — | — | US | disclosed |
| US-20170362248-A1 | C5-C6-OXACYCLIC FUSED IMINOPYRIMIDINONE COMPOUNDS AS BACE INHIBITORS, COMPOSITIONS, AND THEIR USE | MERCK SHARP & DOHME CORP. (US) | 2017-12-21 | — | — | US | disclosed |
| US-9809588-B2 | GLS1 inhibitors for treating disease | BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) | 2017-11-07 | — | — | US | disclosed |
| US-20170291895-A1 | GLS1 INHIBITORS FOR TREATING DISEASE | BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM | 2017-10-12 | — | — | US | disclosed |
| WO-2017106607-A1 | POLYCYCLIC TLR7/8 ANTAGONISTS AND USE THEREOF IN THE TREATMENT OF IMMUNE DISORDERS | MERCK PATENT GMBH (DE) | 2017-06-22 | — | — | WO | disclosed |
| US-20170174653-A1 | TLR7/8 ANTAGONISTS AND USES THEREOF | MERCK PATENT GMBH (DE) | 2017-06-22 | — | — | US | disclosed |
| US-20170174661-A1 | SALT FORMS AND POLYMORPHS OF (R)-1-(4-(6-(2-(4-(3,3-DIFLUOROCYCLOBUTOXY)-6-METHYLPYRIDIN-2-YL)ACETAMIDO) PYRIDAZIN-3-YL)-2-FLUOROBUTYL)-N-METHYL-1H-1,2,3-TRIAZOLE-4-CARBOXAMIDE | BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM | 2017-06-22 | — | — | US | disclosed |
| EP-3181561-A1 | SYNTHETIC INTERMEDIATE OF (R)-1(2,2 -DIFLUOROBENZO[D][1,3]DIOXOL-5YL)-N-(1-(2,3-DIHYDROXYPROPYL)-6-FLUORO-2-(1-HYDROXY-2-METHYLPROPAN-2YL)-1H-INDOL-5YL)CYCLOPROPANECARBOXAMIDE | Vertex Pharmaceuticals Incorporated (US) | 2017-06-21 | — | — | EP | disclosed |
| EP-3138563-A1 | PHARMACEUTICAL COMPOSITIONS AND ADMINISTRATIONS THEREOF | Vertex Pharmaceuticals Inc. (US) | 2017-03-08 | — | — | EP | disclosed |
| EP-3133071-A1 | C-ARYL INDICAN DERIVATIVE, AND PHARMACEUTICAL COMPOSITION THEREOF, PREPARATION METHOD THEREFOR AND USES THEREOF | Shanghai De Novo Pharmatech Co Ltd. (CN) | 2017-02-22 | — | — | EP | disclosed |
| WO-2010145197-A1 | NOVEL 6-ARYLAMINO PYRIDONE SULFONAMIDES AND 6-ARYLAMINO PYRAZINONE SULFONAMDIES AS MEK INHIBITORS | CHEMIZON (BEIJING), LTD. (CN) | 2010-12-23 | — | — | WO | disclosed |
| US-20100317850-A1 | CONDENSED AMINODIHYDROTHIAZINE DERIVATIVE | EISAI R&D MANAGEMENT CO., LTD. (JP) | 2010-12-16 | — | — | US | disclosed |
| US-20100093999-A1 | NOVEL FUSED AMINODIHYDROTHIAZINE DERIVATIVE | EISAI R&D MANAGEMENT CO., LTD. (JP) | 2010-04-15 | — | — | US | disclosed |
| WO-2010039531-A1 | THERAPEUTIC COMPOUNDS | RESOLVYX PHARMACEUTICALS, INC. (US) | 2010-04-08 | — | — | WO | disclosed |
| WO-2010038686-A1 | NOVEL FUSED AMINODIHYDROTHIAZINE DERIVATIVE | エーザイ・アール・アンド・ディー・マネジメント株式会社 (JP) | 2010-04-08 | — | — | WO | disclosed |
| WO-2009140163-A1 | OXAZOLOBENZIMIDAZOLE DERIVATIVES | MERCK & CO., INC. (US) | 2009-11-19 | — | — | WO | disclosed |
| US-20090209755-A1 | FUSED AMINODIHYDROTHIAZINE DERIVATIVES | EISAI R&D MANAGEMENT CO., LTD. (JP) | 2009-08-20 | — | — | US | disclosed |
| WO-2009091016-A1 | CONDENSED AMINODIHYDROTHIAZINE DERIVATIVE | EISAI R & D MANAGEMENT CO., LTD. (JP) | 2009-07-23 | — | — | WO | disclosed |
| CN-1203899-C | Compounds with chelation affinity and selectivity for first transition series elements, and their use in medical therapy and diagenosis | CONCAT LTD (US) | 2005-06-01 | — | — | CN | disclosed |
| CN-1189105-A | Compounds with chelating affinity and selectivity for elements of the first transition series and their use in medical therapy and diagnosis | CONCAT LTD (US) | 1998-07-29 | — | — | CN | disclosed |