⚠ 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 | |
|---|---|---|---|---|
| Water SCHEMBL28330914 | 0.97 | — | — | |
| Trimethylammonium SCHEMBL27540821 | 0.89 | CA2 (0.43) | — | |
| Pyrazine SCHEMBL27804684 | 0.84 | CYP1A2 (0.40) | — | |
| O-Xylene SCHEMBL28259486 | 0.78 | PDK1 (0.45) | — | |
| SCHEMBL31326896 | 0.75 | — | — | |
| SCHEMBL9420216 | 0.75 | DGAT1 (0.36) | — | |
| SCHEMBL3613024 | 0.75 | — | — | |
| SCHEMBL28471886 | 0.75 | KDM4E (0.39) | — | |
| SCHEMBL29217724 | 0.75 | — | — | |
| SCHEMBL2884635 | 0.72 | CA2 (0.59) | — |
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 607 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-119335072-A | Detection method of hydrazine compounds and application thereof | 广东东阳光药业股份有限公司 | 2025-01-21 | — | — | CN | claimed |
| CN-119080712-A | Preparation method of 5-chloromethyl-2-trifluoromethyl-1, 3, 4-oxadiazole | 杭州永太生物医药有限公司 | 2024-12-06 | — | — | CN | claimed |
| CN-115650987-B | Method for preparing sitagliptin intermediate substituted pyrazine hydrochloride | 长沙创新药物工业技术研究院有限公司 | 2024-10-18 | — | — | CN | claimed |
| CN-117720540-A | Sitagliptin intermediate and preparation method of sitagliptin | 宜昌东阳光制药有限公司 | 2024-03-19 | — | — | CN | claimed |
| CN-115572263-B | Method for synthesizing pyrazoline by catalyzing ketazine cyclization with hydrazine salt | 郑州中科新兴产业技术研究院 | 2023-12-12 | — | — | CN | claimed |
| CN-116693540-A | Synthesis method of sitagliptin intermediate | 江苏八巨药业有限公司 | 2023-09-05 | — | — | CN | claimed |
| CN-116102556-A | Preparation method of sitagliptin intermediate | 重庆普佑生物医药有限公司 | 2023-05-12 | — | — | CN | claimed |
| US-20230128639-A1 | PROCESS FOR PREPARING SOLUBLE GUANYLATE CYCLASE STIMULATORS | TISENTO THERAPEUTICS INC. | 2023-04-27 | — | — | US | claimed |
| CN-115650987-A | Method for preparing sitagliptin intermediate substituted pyrazine hydrochloride | 长沙创新药物工业技术研究院有限公司 | 2023-01-31 | — | — | CN | claimed |
| CN-115572263-A | Method for synthesizing pyrazoline by catalyzing ketazine cyclization with hydrazonium salt | 郑州中科新兴产业技术研究院 | 2023-01-06 | — | — | CN | claimed |
| CN-103923087-B | A kind of preparation method of deuterium-labeled sitagliptin | 南京靖龙药物研发有限公司 | 2016-08-31 | — | — | CN | claimed |
| CN-105801496-A | Trifluoroacetyl hydrazine compound, preparation method thereof and application thereof in pharmacy | 广州喜鹊医药有限公司 | 2016-07-27 | — | — | CN | claimed |
| CN-104130243-B | Replace halobenzene base triazole ring is replaced and fluoridizes niacinamide compound and synthetic method | HEBEI MAISON CHEMICAL CO., LTD. (CN) | 2016-05-25 | — | — | CN | claimed |
| CN-104130243-A | Substituted p-halogenophenyl triazole ring substituted nicotinamide fluoride compounds and synthesis method thereof | MAISON CHEMICAL CO LTD | 2014-11-05 | — | — | CN | claimed |
| CN-103923087-A | Method for preparing deuterium-labeled sitagliptin | NANJING JINGLONG PHARMACEUTICAL RES DEV CO LTD | 2014-07-16 | — | — | CN | claimed |
| CN-102898387-A | Channelized method for continuously producing N-[(2Z)-piperazine-2-subunit]-2, 2, 2-trifluoroacetyl hydrazine | UNIV ZHEJIANG TECHNOLOGY | 2013-01-30 | — | — | CN | claimed |
| CN-101973997-B | Method for preparing sitagliptin phosphate side chain | UNIV ZHEJIANG | 2012-06-06 | — | — | CN | claimed |
| CN-101973997-A | Method for preparing sitagliptin phosphate side chain | UNIV ZHEJIANG | 2011-02-16 | — | — | CN | claimed |
| US-4310551-A | Pharmacologically active substituted 1,2,4-triazines | DIAMOND SHAMROCK CORPORATION (US) | 1982-01-12 | — | — | US | claimed |
| US-4251527-A | ANTIINFLAMMATORY AGENTS | DIAMOND SHAMROCK CORPORATION (US) | 1981-02-17 | — | — | US | claimed |