⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1872649 | 1.00 | — | — | |
| SCHEMBL5035847 | 1.00 | — | — | |
| Hydrochloric Acid SCHEMBL31320031 | 0.98 | GABRA5 (0.44) | — | |
| Hydrochloric Acid SCHEMBL6178563 | 0.98 | GABRA5 (0.44) | — | |
| SCHEMBL6398719 | 0.86 | APLNR (0.63) | — | |
| SCHEMBL92503 | 0.84 | GABRA1 (0.56) | — | |
| SCHEMBL30600203 | 0.84 | APLNR (0.55) | — | |
| SCHEMBL25948765 | 0.82 | APLNR (0.53) | — | |
| Hydrochloric Acid SCHEMBL336468 | 0.82 | GABRA1 (0.54) | — | |
| SCHEMBL19544751 | 0.81 | — | — |
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 346 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7674810-B2 | 1,1-dioxo-1H-1Λ6-benzo[d]isothiazol-3-yl)-4-hydroxy-1,5-dihydro-pyrrol-2-one inhibitors of HCV polymerase | ROCHE PALO ALTO LLC (US) | 2010-03-09 | — | — | US | claimed |
| CN-101189230-A | Heterocyclic antiviral compounds | ROCHE PALO ALTO LLC (CH) | 2008-05-28 | — | — | CN | claimed |
| EP-1879885-A1 | HETEROCYCLIC ANTIVIRAL COMPOUNDS | F. Hoffmann-Roche AG (CH) | 2008-01-23 | — | — | EP | claimed |
| EP-1732562-A2 | SUBSTITUTED PYRIDINYL AND PYRIMIDINYL DERIVATIVES AS MODULATORS OF METABOLISM AND THE TREATMENT OF DISORDERS RELATED THERETO | Arena Pharmaceuticals, Inc. (US) | 2006-12-20 | — | — | EP | claimed |
| WO-2006117306-A1 | HETEROCYCLIC ANTIVIRAL COMPOUNDS | F. HOFFMANN-LA ROCHE AG (CH) | 2006-11-09 | — | — | WO | claimed |
| US-20060252785-A1 | Heterocyclic antiviral compounds | ROCHE PALO ALTO LLC | 2006-11-09 | — | — | US | claimed |
| WO-2006083491-A2 | SUBSTITUTED PYRIDINYL AND PYRIMIDINYL DERIVATIVES AS MODULATORS OF METABOLISM AND THE TREATMENT OF DISORDERS RELATED THERETO | ARENA PHARMACEUTICALS, INC. (US) | 2006-08-10 | — | — | WO | claimed |
| US-20260116881-A1 | KIF MODULATOR COMPOUNDS AND METHODS OF USE | IAMBIC THERAPEUTICS INC (US) | 2026-04-30 | — | — | US | disclosed |
| WO-2025056068-A1 | BICYCLIC COMPOUND, AND PREPARATION METHOD THEREFOR AND PHARMACEUTICAL USE THEREOF | 上海济煜医药科技有限公司 | 2025-03-20 | — | — | WO | disclosed |
| US-20240382483-A1 | HETEROCYCLIC EGFR INHIBITORS FOR USE IN THE TREATMENT OF CANCER | BLUEPRINT MEDICINES CORPORATION | 2024-11-21 | — | — | US | disclosed |
| US-20240343704-A1 | HALO-SUBSTITUTED AMINO PYRIDINE COMPOUNDS AS INHIBITORS OF THE HAEMATOPOIETIC PROGENITOR KINASE 1 (HPK1) | ONTARIO INSTITUTE FOR CANCER RESEARCH (OICR) (CA) | 2024-10-17 | — | — | US | disclosed |
| US-20240293381-A1 | Therapeutic Compounds | CELGENE QUANTICEL RES INC (US) | 2024-09-05 | — | — | US | disclosed |
| CN-118047796-A | Pan-KRAS inhibitor compound | 杭州阿诺生物医药科技有限公司 | 2024-05-17 | — | — | CN | disclosed |
| EP-1433788-A1 | Pyrazole-derivatives as factor Xa inhibitors | Aventis Pharma Deutschland GmbH (DE) | 2004-06-30 | — | — | EP | disclosed |
| EP-1389104-A2 | 3-AMINOALKYL-2-ARYL-INDOLE DERIVATIVES AND THEIR USE AS GNRH ANTAGONISTS | Astrazeneca AB (SE) | 2004-02-18 | — | — | EP | disclosed |
| US-20040029898-A1 | Substituted quinolines as antitumor agents | ASTRAZENECA AB (SE) | 2004-02-12 | — | — | US | disclosed |
| US-20030232804-A1 | Glycinamides as factor Xa inhibitors | BRISTOL-MYERS SQUIBB COMPANY | 2003-12-18 | — | — | US | disclosed |
| WO-2003048081-A2 | GLYCINAMIDES AS FACTOR XA INHIBITORS | BRISTOL-MYERS SQUIBB COMPANY (US) | 2003-06-12 | — | — | WO | disclosed |
| US-20020198194-A1 | Quinoline derivatives | HOFFMANN-LA ROCHE INC. | 2002-12-26 | — | — | US | disclosed |
| WO-2002092565-A2 | 3-AMINOALKYL-2-ARYL-INDOLE DERIVATIVES AND THEIR USE AS GNRH ANTAGONISTS | ASTRAZENECA AB (SE) | 2002-11-21 | — | — | WO | disclosed |