⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL124660 | 1.00 | — | — | |
| SCHEMBL124659 | 1.00 | — | — | |
| SCHEMBL10324983 | 0.90 | CA1 (0.35) | — | |
| 1,4-Butanediol SCHEMBL10390457 | 0.90 | CA1 (0.35) | — | |
| 1,4-Butanediol SCHEMBL10390458 | 0.90 | CA1 (0.35) | — | |
| SCHEMBL18010498 | 0.90 | CA1 (0.35) | — | |
| SCHEMBL10324984 | 0.90 | CA1 (0.35) | — | |
| SCHEMBL10890533 | 0.85 | CA1 (0.32) | — | |
| SCHEMBL10579531 | 0.85 | CA1 (0.32) | — | |
| SCHEMBL10890535 | 0.85 | CA1 (0.32) | — |
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 171 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-118186446-A | Method for realizing selective electrocatalytic hydrogenation of 1, 4-butynediol by regulating copper valence state | 北京化工大学 | 2024-06-14 | — | — | CN | claimed |
| CN-115212905-B | Alkynol selective hydrogenation catalyst and preparation method and application thereof | 浙江新和成股份有限公司 | 2024-06-04 | — | — | CN | claimed |
| US-20230365740-A1 | POLYURETHANES AND METHODS TO PREPARE POLYURETHANES | UNIV CALIFORNIA (US) | 2023-11-16 | — | — | US | claimed |
| CN-116462708-A | Flame-retardant polyaspartic acid ester resin, and preparation method and application thereof | 深圳市宝安区新材料研究院 | 2023-07-21 | — | — | CN | claimed |
| CN-114853689-A | Preparation method of high-purity lithium butoxide complex | 上海键合医药科技有限公司 | 2022-08-05 | — | — | CN | claimed |
| CN-109647531-B | Catalyst for hydrogenation of 1, 4-butynediol, preparation method thereof and hydrogenation process of 1, 4-butynediol | 中国石油化工股份有限公司 | 2022-02-08 | — | — | CN | claimed |
| EP-3825096-A1 | METHOD FOR OBTAINING A COATED PREFORM AND CONTAINER | Molecular Plasma Group SA (LU) | 2021-05-26 | — | — | EP | claimed |
| CN-112759516-A | Synthesis method of acetaldehyde alcohol optical active ester | 武汉工程大学 | 2021-05-07 | — | — | CN | claimed |
| US-10993437-B2 | Anti-microbial polymer incorporating a quaternary ammonium group | CHEMGREEN INNOVATION INC. (CA) | 2021-05-04 | — | — | US | claimed |
| US-10336668-B2 | Method for producing cis- and trans-enriched MDACH | BASF SE (DE) | 2019-07-02 | — | — | US | claimed |
| EP-3224235-B1 | PROCESS FOR THE PREPARATION OF CIS- AND TRANS-ENRICHED MDACH | BASF SE (DE) | 2018-11-14 | — | — | EP | claimed |
| US-10087137-B2 | Cross metathesis approach to C11-C13 fatty-chain amino esters from oleic acid derivatives | THE UNIVERSITY OF TOLEDO (US) | 2018-10-02 | — | — | US | claimed |
| US-20170260115-A1 | METHOD FOR PRODUCING CIS- AND TRANS-ENRICHED MDACH | BASF SE (DE) | 2017-09-14 | — | — | US | claimed |
| US-20170204051-A1 | Cross Metathesis Approach to C11-C13 Fatty-Chain Amino Esters From Oleic Acid Derivatives | THE UNIVERSITY OF TOLEDO (US) | 2017-07-20 | — | — | US | claimed |
| US-9150498-B2 | Process for the preparation of oseltamivir and methyl 3-epi-shikimate | COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) | 2015-10-06 | — | — | US | claimed |
| US-20140243537-A1 | PROCESS FOR THE PREPARATION OF OSELTAMIVIR AND METHYL 3-EPI-SHIKIMATE | COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) | 2014-08-28 | — | — | US | claimed |
| US-3945865-A | IN NITRIC ACID BATHS CONTAINING HYDROGEN PEROXIDE | DART ENVIRONMENT AND SERVICES COMPANY (US) | 1976-03-23 | — | — | US | claimed |
| JP-7010867-A | — | — | None | — | — | JP | disclosed |
| US-3978087-A | MOLDING MATERIALS | CIBA-GEIGY CORPORATION (US) | 1976-08-31 | — | — | US | disclosed |
| US-3945865-A | IN NITRIC ACID BATHS CONTAINING HYDROGEN PEROXIDE | DART ENVIRONMENT AND SERVICES COMPANY (US) | 1976-03-23 | — | — | US | disclosed |