⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2885270 | 0.95 | — | — | |
| SCHEMBL4699 | 0.95 | — | — | |
| SCHEMBL1332124 | 0.95 | — | — | |
| SCHEMBL2082322 | 0.95 | — | — | |
| SCHEMBL8921419 | 0.90 | — | — | |
| Hydrochloric Acid SCHEMBL9596797 | 0.90 | — | — | |
| Phosphine SCHEMBL28963113 | 0.90 | — | — | |
| SCHEMBL20421266 | 0.90 | — | — | |
| SCHEMBL5375308 | 0.90 | — | — | |
| SCHEMBL4063683 | 0.90 | — | — |
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 78 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-118359532-A | Method for synthesizing fluorine-containing substituted aza-aryl tertiary alcohol by using asymmetric olefin difunctional one-pot method under catalysis of chiral phosphoric acid | 浙江工业大学 | 2024-07-19 | — | — | CN | claimed |
| CN-107955052-B | Method for alkynylating 16-substituted-17-ketosteroids | 晶体制药独资有限公司 | 2024-07-05 | — | — | CN | claimed |
| CN-117777179-A | Synthesis process of hexakis (trimethylsilyl ethynyl) benzene | 山东大学 | 2024-03-29 | — | — | CN | claimed |
| CN-117003632-A | Method for preparing 5-bromo-4, 5-tetrafluorovaleric acid | 上海恩氟佳科技有限公司 | 2023-11-07 | — | — | CN | claimed |
| CN-113004223-A | Method for synthesizing (3Z,6Z,9S,10R) -9, 10-epoxy-3, 6-heneicosene | 中国农业大学 | 2021-06-22 | — | — | CN | claimed |
| WO-2021103795-A1 | OXIDIZED RING BELT [8] AROMATIC HYDROCARBON DERIVATIVE AND PREPARATION METHOD THEREFOR | 清华大学 | 2021-06-03 | — | — | WO | claimed |
| CN-109280220-A | A kind of modified attapulgite and preparation method thereof and the application in low-smoke halogen-free inflaming-retarding cable | 江苏宝源高新电工有限公司 | 2019-01-29 | — | — | CN | claimed |
| CN-107868168-A | A kind of preparation method of erasable type acrylate pressure-sensitive adhesive | 王琪宇 | 2018-04-03 | — | — | CN | claimed |
| CN-107312177-A | A kind of preparation method of cutting fluid polyether modified silicon oil processed | 王琪宇 | 2017-11-03 | — | — | CN | claimed |
| US-9296780-B2 | Process for alkynylating 16-substituted-17-keto steroids | CRYSTAL PHARMA, S.A.U. (ES) | 2016-03-29 | — | — | US | claimed |
| CN-103059034-B | Methods for synthesizing securinine natural products flueggine A, norsecurinine, virosaine B and allonorsecurinine | UNIV PEKING SHENZHEN GRAD SCHO | 2015-03-25 | — | — | CN | claimed |
| US-20150005518-A1 | PROCESS FOR ALKYNYLATING 16-SUBSTITUTED-17-KETO STEROIDS | CRYSTAL PHARMA, S.A.U. (ES) | 2015-01-01 | — | — | US | claimed |
| EP-2794632-A1 | PROCESS FOR ALKYNYLATING 16-SUBSTITUTED-17-KETO STEROIDS | Crystal Pharma S.A.U (ES) | 2014-10-29 | — | — | EP | claimed |
| WO-2013092668-A1 | PROCESS FOR ALKYNYLATING 16-SUBSTITUTED-17-KETO STEROIDS | CRYSTAL PHARMA, S.A.U. (ES) | 2013-06-27 | — | — | WO | claimed |
| CN-103059034-A | Methods for synthesizing securinine natural products flueggine A, norsecurinine, virosaine B and allonorsecurinine | UNIV PEKING SHENZHEN GRAD SCHO | 2013-04-24 | — | — | CN | claimed |
| EP-0387929-B1 | Trimethylsilyl acetylene compounds, their preparation and their use in the preparation of daunomycinone derivatives | PHARMACHEMIE BV (NL) | 1994-04-27 | — | — | EP | claimed |
| EP-0383372-B1 | CYCLIC TRIKETONE COMPOUNDS AND TRIMETHYLSILYLOXY BUTADIENE COMPOUNDS AND THEIR USE IN THE PREPARATION OF DAUNOMYCINONE DERIVATIVES | PHARMACHEMIE B.V. (NL) | 1993-04-07 | — | — | EP | claimed |
| US-5097051-A | CYCLIC TRIKETONE COMPOUNDS AND TRIMETHYLSILYLOXY BUTADIENE COMPOUNDS AND THEIR USE IN THE PREPARATION OF DAUNOMYCINONE DERIVATIVES | PHARMACHEMIE B.V. (NL) | 1992-03-17 | — | — | US | claimed |
| US-5079349-A | TRIMETHYLSILYL ACETYLENE COMPOUNDS, THEIR PREPARATION AND THEIR USE IN THE PREPARATION OF DAUNOMYCINONE DERIVATIVES | PHARMACHEMIE B.V. (NL) | 1992-01-07 | — | — | US | claimed |
| EP-0383372-A1 | Cyclic triketone compounds and trimethylsilyloxy butadiene compounds and their use in the preparation of daunomycinone derivatives | PHARMACHEMIE B.V. (NL) | 1990-08-22 | — | — | EP | claimed |