⚠ 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 | |
|---|---|---|---|---|
| Pyridine SCHEMBL28281308 | 0.88 | NAPRT (0.69) | — | |
| Pyridine SCHEMBL28470067 | 0.87 | TSHR (0.82) | — | |
| Pyridine SCHEMBL11877627 | 0.87 | TSHR (0.82) | — | |
| Pyridine SCHEMBL1895575 | 0.87 | — | — | |
| Pyridine SCHEMBL6115211 | 0.87 | TSHR (0.82) | — | |
| Pyridine SCHEMBL27791776 | 0.87 | TSHR (0.82) | — | |
| Benzene SCHEMBL28210123 | 0.87 | TSHR (0.82) | — | |
| Pyridine SCHEMBL2348132 | 0.87 | NAPRT (0.82) | — | |
| Pyridine SCHEMBL28910607 | 0.87 | NAPRT (0.82) | — | |
| Pyridine SCHEMBL15309118 | 0.87 | NAPRT (0.82) | — |
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 26 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8741952-B2 | Polymorphs of 4-[2-dimethylamino-1-(1-hydroxycyclohexyl)ethyl]phenyl 4-methyl-benzoate hydrochloride, methods for preparing the same and use of the same | Shangong Luye Pharmaceutical Co., Ltd. (CN) | 2014-06-03 | — | — | US | disclosed |
| US-20130281531-A1 | POLYMORPHS OF 4-[2-DIMETHYLAMINO-1-(1-HYDROXYCYCLOHEXYL)ETHYL]PHENYL 4-METHYL-BENZOATE HYDROCHLORIDE, METHODS FOR PREPARING THE SAME AND USE OF THE SAME | SHANDONG LUYE PHARMACEUTICAL CO., LTD. (CN) | 2013-10-24 | — | — | US | disclosed |
| EP-1017727-B1 | COMPOSITION AND PHARMACEUTICAL PREPARATION CONTAINING SAME FOR THE TREATMENT OF HERPES AND RELATED VIRAL INFECTIONS | UNIV DALHOUSIE (CA) | 2003-08-20 | — | — | EP | disclosed |
| EP-1017727-A1 | COMPOSITION AND PHARMACEUTICAL PREPARATION CONTAINING SAME FOR THE TREATMENT OF HERPES AND RELATED VIRAL INFECTIONS | DALHOUSIE UNIVERSITY (CA) | 2000-07-12 | — | — | EP | disclosed |
| WO-1999015566-A1 | COMPOSITION AND PHARMACEUTICAL PREPARATION CONTAINING SAME FOR THE TREATMENT OF HERPES AND RELATED VIRAL INFECTIONS | DALHOUSIE UNIVERSITY (CA) | 1999-04-01 | — | — | WO | disclosed |
| US-4642315-A | HYPOTENSIVE AGENTS | E. R. SQUIBB & SONS, INC. (US) | 1987-02-10 | — | — | US | disclosed |
| EP-0077680-B1 | HETEROPOLYSACCHARIDE S-194, A PROCESS FOR PRODUCING IT, AND COMPOSITIONS CONTAINING IT | MERCK & CO. INC. (US) | 1986-10-15 | — | — | EP | disclosed |
| US-4587234-A | HYPOTENSIVES | E. R. SQUIBB & SONS, INC. (US) | 1986-05-06 | — | — | US | disclosed |
| EP-0064354-B1 | HETEROPOLYSACCHARIDE S-198 | MERCK & CO. INC. (US) | 1985-11-06 | — | — | EP | disclosed |
| US-4535153-A | CONTAINING GLUCURONIC ACID, MANNOSE, GLUCOSE AND RHAMNOSE | MERCK & CO., INC. (US) | 1985-08-13 | — | — | US | disclosed |
| EP-0064354-A1 | Heteropolysaccharide S-198 | MERCK & CO. INC. (US) | 1982-11-10 | — | — | EP | disclosed |
| US-4350769-A | Klebsiella pneumoniae, ATCC 31488 | MERCK & CO., INC. (US) | 1982-09-21 | — | — | US | disclosed |
| US-4342672-A | Use of Heteropolysaccharide S-156 in latex paint | MERCK & CO., INC. (US) | 1982-08-03 | — | — | US | disclosed |
| US-4342866-A | USEFUL IN OIL WELL DRILLING FLUIDS AND WELLS | MERCK & CO., INC. (US) | 1982-08-03 | — | — | US | disclosed |
| US-4342601-A | Use of heteropolysaccharide S-119 as a paper finish | MERCK & CO., INC. (US) | 1982-08-03 | — | — | US | disclosed |
| US-4311601-A | Use of heteropolysaccharide S-119 as a warp size | MERCK & CO., INC. (US) | 1982-01-19 | — | — | US | disclosed |
| US-4311795-A | Polysaccharide S-53 and bacterial fermentation process for its preparation | MERCK & CO., INC. (US) | 1982-01-19 | — | — | US | disclosed |
| US-4304906-A | FERMENTATION PRODUCT OF PSEUDOMONAS | MERCK & CO., INC. (US) | 1981-12-08 | — | — | US | disclosed |
| US-4298691-A | CULTURE OF DLEBSIELLA VARIANT | MERCK & CO., INC. (US) | 1981-11-03 | — | — | US | disclosed |
| US-4291156-A | Polysaccharide S-53 and bacterial fermentation process for its preparation | MERCK & CO., INC. (US) | 1981-09-22 | — | — | US | disclosed |