⚠ 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 | |
|---|---|---|---|---|
| Guaiacol SCHEMBL29454477 | 0.82 | — | — | |
| Guaiacol SCHEMBL671733 | 0.82 | CA2 (1.00) | — | |
| Guaiacol SCHEMBL21626 | 0.82 | — | — | |
| 1,2-Dimethoxybenzene SCHEMBL3661985 | 0.82 | CA1 (0.61) | — | |
| 1,2-Dimethoxybenzene SCHEMBL31501593 | 0.82 | CA1 (0.61) | — | |
| Guaiacol SCHEMBL25403512 | 0.80 | CA2 (0.95) | — | |
| Guaiacol SCHEMBL16338065 | 0.80 | CA2 (0.95) | — | |
| Guaiacol SCHEMBL11574553 | 0.80 | CA1 (0.95) | — | |
| Guaiacol SCHEMBL7398872 | 0.80 | CA2 (0.95) | — | |
| Guaiacol SCHEMBL15553824 | 0.80 | CA2 (0.95) | — |
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 14 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-120121743-A | Method for judging Luzhou-flavor liquor in Yibin producing area | 江南大学 | 2025-06-10 | — | — | CN | claimed |
| CN-115015450-B | Method for analyzing metabolites in soil by microwave derivatization-quasi-target gas chromatography-mass spectrometry | 贵州省烟草科学研究院 | 2024-05-14 | — | — | CN | claimed |
| CN-120121743-A | Method for judging Luzhou-flavor liquor in Yibin producing area | 江南大学 | 2025-06-10 | — | — | CN | disclosed |
| CN-115015450-B | Method for analyzing metabolites in soil by microwave derivatization-quasi-target gas chromatography-mass spectrometry | 贵州省烟草科学研究院 | 2024-05-14 | — | — | CN | disclosed |
| CN-117491520-A | Quality evaluation method of health care wine for reducing liver injury function and application thereof | 劲牌有限公司 | 2024-02-02 | — | — | CN | disclosed |
| WO-2023246867-A1 | NAV1.8 INHIBITOR | 武汉人福创新药物研发中心有限公司 | 2023-12-28 | — | — | WO | disclosed |
| CN-115015450-A | Method for analyzing metabolites in soil through microwave derivatization-quasi-target gas chromatography-mass spectrometry | 贵州省烟草科学研究院 | 2022-09-06 | — | — | CN | disclosed |
| US-8080549-B2 | Endothelin receptor antagonists | CONCERT PHARMACEUTICALS, INC. (US) | 2011-12-20 | — | — | US | disclosed |
| US-7943620-B2 | Anti-anginal compounds | CONCERT PHARMACEUTICALS, INC. (US) | 2011-05-17 | — | — | US | disclosed |
| US-20100063076-A1 | Endothelin receptor antagonists | SUN PHARMACEUTICAL INDUSTRIES, INC. | 2010-03-11 | — | — | US | disclosed |
| US-20100063076-A1 | Endothelin receptor antagonists | SUN PHARMACEUTICAL INDUSTRIES, INC. | 2010-03-11 | — | — | US | disclosed |
| US-20080318969-A1 | Anti-anginal compounds | SUN PHARMACEUTICAL INDUSTRIES, INC. | 2008-12-25 | — | — | US | disclosed |
| US-20080312247-A1 | SUBSTITUTED PIPERAZINES | AUSPEX PHARMACEUTICALS, INC. (US) | 2008-12-18 | — | — | US | disclosed |
| US-20080242687-A1 | SUBSTITUTED PYRIMIDINES | AUSPEX PHARMACEUTICALS, INC. (US) | 2008-10-02 | — | — | US | disclosed |