⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL11038146 | 0.98 | MEN1 (0.67) | — | |
| Bromide SCHEMBL11045675 | 0.98 | MEN1 (0.67) | — | |
| SCHEMBL11039593 | 0.98 | MEN1 (0.67) | — | |
| Hydrochloric Acid SCHEMBL9168168 | 0.98 | MEN1 (0.60) | — | |
| SCHEMBL7067832 | 0.92 | — | — | |
| Hydrochloric Acid SCHEMBL9177146 | 0.90 | — | — | |
| Phosphonic Acid SCHEMBL11043576 | 0.88 | MEN1 (0.55) | — | |
| SCHEMBL11057119 | 0.87 | CYP1A2 (0.46) | — | |
| Methyl Phosphonate SCHEMBL11037660 | 0.86 | MEN1 (0.53) | — | |
| SCHEMBL11060772 | 0.84 | DHPS (0.48) | — |
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 32 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-113735751-B | Method for preparing aryl isothiourea | 上海药坦药物研究开发有限公司 | 2023-03-10 | — | — | CN | claimed |
| CN-113735751-A | Method for preparing aryl isothiourea | 上海药坦药物研究开发有限公司 | 2021-12-03 | — | — | CN | claimed |
| WO-2003095396-A2 | N,N,-SUBSTITUTED S-ARYL-ISOTHIOUREAS, N,N,N'-SUBSTITUTED S-ARYL-ISOTHIOUREAS AND COMBINATORIAL LIBRARIES THEREOF | LION BIOSCIENCE AG (US) | 2003-11-20 | — | — | WO | claimed |
| US-6570015-B2 | Reacting alpha-keto ester with an isothiourea | UBE INDUSTRIES, LTD. (JP) | 2003-05-27 | — | — | US | claimed |
| US-20030055252-A1 | Process for producing 2-substituted thiopyrimidine-4-carboxylate | UBE INDUSTRIES, LTD. (JP) | 2003-03-20 | — | — | US | claimed |
| US-4537620-A | POSTEMERGENCE HERBICIDES FOR CONTROLLING GRASSES | STAUFFER CHEMICAL COMPANY (US) | 1985-08-27 | — | — | US | claimed |
| CN-113735751-B | Method for preparing aryl isothiourea | 上海药坦药物研究开发有限公司 | 2023-03-10 | — | — | CN | disclosed |
| CN-113735751-B | Method for preparing aryl isothiourea | 上海药坦药物研究开发有限公司 | 2023-03-10 | — | — | CN | disclosed |
| CN-113735751-B | Method for preparing aryl isothiourea | 上海药坦药物研究开发有限公司 | 2023-03-10 | — | — | CN | disclosed |
| CN-113735751-A | Method for preparing aryl isothiourea | 上海药坦药物研究开发有限公司 | 2021-12-03 | — | — | CN | disclosed |
| CN-113735751-A | Method for preparing aryl isothiourea | 上海药坦药物研究开发有限公司 | 2021-12-03 | — | — | CN | disclosed |
| CN-113735751-A | Method for preparing aryl isothiourea | 上海药坦药物研究开发有限公司 | 2021-12-03 | — | — | CN | disclosed |
| US-9393228-B2 | Combination of a slow sodium current blocker and a sinus If current inhibitor, and the pharmaceutical compositions containing said combination | PIERRE FABRE MEDICAMENT (FR) | 2016-07-19 | — | — | US | disclosed |
| EP-0522038-A4 | SUBSTITUTED PYRIMIDINES, PYRIMIDINONES AND PYRIDOPYRIMIDINES | — | 1993-05-26 | — | — | EP | disclosed |
| EP-0522038-A1 | SUBSTITUTED PYRIMIDINES, PYRIMIDINONES AND PYRIDOPYRIMIDINES | MERCK & CO. INC. (US) | 1993-01-13 | — | — | EP | disclosed |
| US-5166206-A | Hypotensive agents, central nervous system disorders, glaucoma or angiotensin antagonist | MERCK & CO., INC. (US) | 1992-11-24 | — | — | US | disclosed |
| WO-1991015209-A1 | SUBSTITUTED PYRIMIDINES, PYRIMIDINONES AND PYRIDOPYRIMIDINES | MERCK & CO., INC. (US) | 1991-10-17 | — | — | WO | disclosed |
| US-4537620-A | POSTEMERGENCE HERBICIDES FOR CONTROLLING GRASSES | STAUFFER CHEMICAL COMPANY (US) | 1985-08-27 | — | — | US | disclosed |
| US-4480028-A | CONTAINING CHELATING AGENT, SOIL SUSPENDER, HYDROTROPE AND DETERGENT | KONISHIROKU PHOTO INDUSTRY CO., LTD. (JP) | 1984-10-30 | — | — | US | disclosed |
| EP-0085580-A1 | Silver halide color photographic light-sensitive material | KONICA CORPORATION (JP) | 1983-08-10 | — | — | EP | disclosed |