⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL36817 | 1.00 | — | — | |
| SCHEMBL5834646 | 1.00 | — | — | |
| Water SCHEMBL11057353 | 0.97 | — | — | |
| Water SCHEMBL11057357 | 0.97 | — | — | |
| SCHEMBL23434850 | 0.86 | TSHR (0.44) | — | |
| SCHEMBL17399524 | 0.86 | TSHR (0.44) | — | |
| SCHEMBL16093126 | 0.86 | TSHR (0.44) | — | |
| SCHEMBL821076 | 0.86 | TSHR (0.53) | — | |
| SCHEMBL869082 | 0.86 | TSHR (0.53) | — | |
| SCHEMBL869080 | 0.86 | TSHR (0.53) | — |
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 710 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-115888772-B | Catalyst for decarbonylation and carbonylation coupling reaction and preparation method and application thereof | 中国石油化工股份有限公司 | 2025-05-30 | — | — | CN | claimed |
| CN-116003467-A | Novel triphosphine compound and synthetic method and application thereof | 惠州凯特立斯科技有限公司 | 2023-04-25 | — | — | CN | claimed |
| CN-115888772-A | Catalyst for decarbonylation and carbonylation coupling reaction and preparation method and application thereof | 中国石油化工股份有限公司 | 2023-04-04 | — | — | CN | claimed |
| CN-115772195-A | Pyridine-based phosphine ligand compound and application thereof | 惠州凯特立斯科技有限公司 | 2023-03-10 | — | — | CN | claimed |
| CN-114957327-A | Synthesis method of benzene-based tetraphosphine ligand | 惠州凯特立斯科技有限公司 | 2022-08-30 | — | — | CN | claimed |
| CN-114835746-A | Novel tetradentate phosphine ligand compound and synthetic method and application thereof | 惠州凯特立斯科技有限公司 | 2022-08-02 | — | — | CN | claimed |
| CN-114805434-A | Novel tetradentate phosphine ligand compound and synthetic method and application thereof | 惠州凯特立斯科技有限公司 | 2022-07-29 | — | — | CN | claimed |
| CN-113773438-B | Carbon dioxide thickener for medium-high permeability oil reservoir and preparation method and technology thereof | 德仕能源科技集团股份有限公司 | 2022-03-08 | — | — | CN | claimed |
| CN-113773438-A | Carbon dioxide thickener for medium-high permeability oil reservoir and preparation method and technology thereof | 德仕能源科技集团股份有限公司 | 2021-12-10 | — | — | CN | claimed |
| US-9809611-B2 | Carbonylation ligands and their use in the carbonylation of ethylenically unsaturated compounds | LUCITE INTERNATIONAL UK LIMITED (GB) | 2017-11-07 | — | — | US | claimed |
| EP-0888274-A1 | PROCESS TO PREPARE A TERMINAL ALDEHYDE | DSM N.V. (NL) | 1999-01-07 | — | — | EP | claimed |
| WO-1998019985-A1 | PROCESS TO PREPARE A LINEAR ALDEHYDE | E.I. DU PONT DE NEMOURS AND COMPANY (US) | 1998-05-14 | — | — | WO | claimed |
| US-5710344-A | BIDENTATE LIGAND CONTAINING TWO PHOSPHORUS ATOMS AS HYDROFORMYLATION CATALYST | E. I. DU PONT DE NEMOURS AND COMPANY (US) | 1998-01-20 | — | — | US | claimed |
| EP-0796237-A1 | PREPARATION OF PENTENOIC ACID | E.I. DU PONT DE NEMOURS AND COMPANY (US) | 1997-09-24 | — | — | EP | claimed |
| WO-1997033854-A1 | PROCESS TO PREPARE A TERMINAL ALDEHYDE | DSM N.V. (NL) | 1997-09-18 | — | — | WO | claimed |
| EP-0556681-B1 | Process for the preparation of esters of omega-formylalkanoic acids | BASF AG (DE) | 1997-05-28 | — | — | EP | claimed |
| US-5536873-A | Preparation of pentenoic acid | E. I. DU PONT DE NEMOURS AND COMPANY (US) | 1996-07-16 | — | — | US | claimed |
| WO-1996017817-A1 | PREPARATION OF PENTENOIC ACID | E.I. DU PONT DE NEMOURS AND COMPANY (US) | 1996-06-13 | — | — | WO | claimed |
| EP-0157311-B1 | PROCESS FOR THE SEPARATION OF 4-PENTENOIC ACID METHYLESTER FROM MIXTURES CONTAINING THE SAME AND 3-PENTENOIC ACID METHYLESTER | BASF Aktiengesellschaft (DE) | 1989-01-25 | — | — | EP | claimed |
| US-4561942-A | AZEOTROPE WITH WATER | BASF AKTIENGESELLSCHAFT (DE) | 1985-12-31 | — | — | US | claimed |