⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL19045058 | 1.00 | — | — | |
| SCHEMBL19045055 | 1.00 | — | — | |
| Hydrochloric Acid SCHEMBL321968 | 0.98 | — | — | |
| Hydrochloric Acid SCHEMBL30282654 | 0.98 | — | — | |
| SCHEMBL2897093 | 0.86 | — | — | |
| SCHEMBL18281481 | 0.86 | — | — | |
| SCHEMBL321822 | 0.84 | — | — | |
| Hydrochloric Acid SCHEMBL31141036 | 0.84 | EPHX1 (0.34) | — | |
| Hydrochloric Acid SCHEMBL31404652 | 0.84 | EPHX1 (0.34) | — | |
| Hydrochloric Acid SCHEMBL2899496 | 0.84 | EPHX1 (0.34) | — |
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 33 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2025096637-A1 | SUBSTITUTED ARYL SULFONAMIDES FOR USE AS SODIUM CHANNEL INHIBITORS | XENON PHARMACEUTICALS INC. (CA) | 2025-05-08 | — | — | WO | disclosed |
| WO-2024253416-A1 | PYRIMIDINE/PYRIDINE DERIVATIVES OR SALTS THEREOF AND PHARMACEUTICAL COMPOSITIONS COMPRISING THE SAME | YUHAN CORPORATION (KR) | 2024-12-12 | — | — | WO | disclosed |
| CN-118165011-A | KRAS inhibitors and uses thereof | 润佳(上海)医药工程有限公司 | 2024-06-11 | — | — | CN | disclosed |
| US-11834452-B2 | CXCR7 antagonists | CHEMOCENTRYX, INC. (US) | 2023-12-05 | — | — | US | disclosed |
| CN-115551841-A | Azetidin-3-ylcarbinol derivatives as modulators of the CCR6 receptor | 爱杜西亚药品有限公司 | 2022-12-30 | — | — | CN | disclosed |
| CN-104592211-B | Biphenyl compound and application thereof | 广东东阳光药业有限公司 | 2018-10-16 | — | — | CN | disclosed |
| US-20180086766-A1 | CXCR7 ANTAGONISTS | CHEMOCENTRYX, INC. | 2018-03-29 | — | — | US | disclosed |
| WO-2017188287-A1 | SUBSTITUTED PURINE DERIVATIVE | 大日本住友製薬株式会社 | 2017-11-02 | — | — | WO | disclosed |
| US-9783544-B2 | CXCR7 antagonists | CHEMOCENTRYX, INC. (US) | 2017-10-10 | — | — | US | disclosed |
| WO-2017108723-A2 | PYRAZOLO[1,5a]PYRIMIDINE DERIVATIVES AS IRAK4 MODULATORS | F. HOFFMANN-LA ROCHE AG (CH) | 2017-06-29 | — | — | WO | disclosed |
| WO-2012004588-A2 | THERAPEUTIC AGENTS 976 | ASTRAZENECA AB (SE) | 2012-01-12 | — | — | WO | disclosed |
| US-20110213152-A1 | METHOD FOR SYNTHESIS OF 8-ALKOXY-9H-ISOTHIAZOLO[5,4-B]QUINOLINE-3,4-DIONES | ACHILLION PHARMACEUTICALS, INC. (US) | 2011-09-01 | — | — | US | disclosed |
| US-7902365-B2 | Using a 2-sulfone, 3-carboxylate, 4-oxoquinoline as chemical intermediate ; cyclization | ACHILLION PHARMACEUTICALS, INC. (US) | 2011-03-08 | — | — | US | disclosed |
| US-20100197656-A1 | COMPOUNDS FOR THE TREATMENT OF INFLAMMATORY DISEASES | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2010-08-05 | — | — | US | disclosed |
| US-7723341-B2 | Dihydrothienopyrimidines, suitable for the treatment of respiratory, gastrointestinal, inflammatory, nervous system disorders and/or cancer | BOEHRINGER INGELHEIM INTERNATIONAL GMBH | 2010-05-25 | — | — | US | disclosed |
| US-20090186875-A1 | Dihydrothienopyrimidines, suitable for the treatment of respiratory, gastrointestinal, inflammatory, nervous system disorders and/or cancer | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2009-07-23 | — | — | US | disclosed |
| US-7511045-B2 | Dihydrothienopyrimidines; gastrointestinal disorders; cancer | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2009-03-31 | — | — | US | disclosed |
| US-20080071086-A1 | METHOD FOR SYNTHESIS OF 8-ALKOXY-9H-ISOTHIAZOLO[5,4-B]QUINOLINE-3,4-DIONES | ACHILLION PHARMACEUTICALS, INC. (US) | 2008-03-20 | — | — | US | disclosed |
| WO-2008021491-A2 | METHOD FOR SYNTHESIS OF 8-ALKOXY-9H-ISOTHIAZOLO[5,4-B]QUINOLINE-3,4-DIONES | ACHILLION PHARMACEUTICALS, INC. (US) | 2008-02-21 | — | — | WO | disclosed |
| US-20070259846-A1 | Dihydrothienopyrimidines; gastrointestinal disorders; cancer | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2007-11-08 | — | — | US | disclosed |