⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL29417984 | 1.00 | — | — | |
| SCHEMBL28085288 | 0.89 | TDP1 (0.48) | — | |
| Phenol SCHEMBL27884915 | 0.84 | ALDH1A1 (0.48) | — | |
| SCHEMBL14586542 | 0.81 | TDP1 (0.48) | — | |
| SCHEMBL59217 | 0.79 | — | — | |
| SCHEMBL8943155 | 0.78 | TDP1 (0.47) | — | |
| Phenol SCHEMBL27721324 | 0.77 | FFAR4 (0.43) | — | |
| SCHEMBL21974454 | 0.76 | TDP1 (0.62) | — | |
| SCHEMBL6570885 | 0.75 | SMN1; SMN2 (0.43) | — | |
| SCHEMBL102738 | 0.75 | — | — |
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 1253 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-119798252-A | Method for preparing N-ortho-acyl substituted nitrogen-containing heterocyclic compound and amine-shrinking iron (II) complex thereof | 中国石油化工股份有限公司 | 2025-04-11 | — | — | CN | claimed |
| CN-119707773-A | Preparation method and application of maleimide structure-containing compound | 中国农业大学 | 2025-03-28 | — | — | CN | claimed |
| CN-119661371-A | Preparation method of 2-fluoro-4-methylaniline | 帕潘纳(北京)科技有限公司 | 2025-03-21 | — | — | CN | claimed |
| CN-119143751-A | N-ortho-acyl substituted nitrogen-containing heterocyclic compound and preparation method of amine-shrinking iron (II) complex thereof | 中国石油化工股份有限公司 | 2024-12-17 | — | — | CN | claimed |
| CN-119143750-A | Preparation method of N-ortho-alkyl substituted 1, 10-phenanthroline compound and catalyst prepared by same | 中国石油化工股份有限公司 | 2024-12-17 | — | — | CN | claimed |
| CN-114163482-B | Fluorine-containing large-steric hindrance alpha-diimine nickel (II) complex, preparation method and application | 中国石化扬子石油化工有限公司 | 2024-08-13 | — | — | CN | claimed |
| CN-114249850-A | Dibenzhydrylfluorine-substituted diimine nickel (II) catalyst containing butanedione skeleton, and preparation method and application thereof | 中国石化扬子石油化工有限公司 | 2022-03-29 | — | — | CN | claimed |
| CN-114163482-A | Fluorine-containing large steric hindrance alpha-diimine nickel (II) complex, preparation method and application | 中国石化扬子石油化工有限公司 | 2022-03-11 | — | — | CN | claimed |
| EP-2906559-B1 | AZAINDOLINES | HOFFMANN LA ROCHE (CH) | 2017-02-08 | — | — | EP | claimed |
| CN-103804428-B | The preparation method of a kind of coordination compound and the application of coordination compound | 中国石油化工股份有限公司 | 2016-12-21 | — | — | CN | claimed |
| US-20030105081-A1 | Heterocyclic compounds as ligands of the GABAA receptor | PFIZER INC | 2003-06-05 | — | — | US | claimed |
| EP-1155001-A4 | ISOQUINOLINE DERIVATIVES AND ISOQUINOLINE COMBINATORIAL LIBRARIES | LION BIOSCIENCE AG (DE) | 2003-05-28 | — | — | EP | claimed |
| US-6417195-B1 | LIBRARIES AND COMBINATORIAL CHEMISTRY | LION BIOSCIENCE AG (DE) | 2002-07-09 | — | — | US | claimed |
| EP-1155001-A1 | ISOQUINOLINE DERIVATIVES AND ISOQUINOLINE COMBINATORIAL LIBRARIES | TREGA BIOSCIENCES, INC. (US) | 2001-11-21 | — | — | EP | claimed |
| WO-2000050406-A1 | ISOQUINOLINE DERIVATIVES AND ISOQUINOLINE COMBINATORIAL LIBRARIES | LION BIOSCIENCE AG (DE) | 2000-08-31 | — | — | WO | claimed |
| EP-0863877-A4 | ISOQUINOLINE DERIVATIVES AND ISOQUINOLINE COMBINATORIAL LIBRARIES | TORREY PINES INST (US) | 1999-07-21 | — | — | EP | claimed |
| US-5874443-A | BIOSYNTHESIS | TREGA BIOSCIENCES, INC. (US) | 1999-02-23 | — | — | US | claimed |
| CN-1202888-A | Isoquinoline derivatives and isoquinoline combinatorial libraries | TORREY PINES INST (US) | 1998-12-23 | — | — | CN | claimed |
| EP-0863877-A1 | ISOQUINOLINE DERIVATIVES AND ISOQUINOLINE COMBINATORIAL LIBRARIES | TORREY PINES INSTITUTE FOR MOLECULAR STUDIES (US) | 1998-09-16 | — | — | EP | claimed |
| WO-1997016428-A1 | ISOQUINOLINE DERIVATIVES AND ISOQUINOLINE COMBINATORIAL LIBRARIES | TORREY PINES INSTITUTE FOR MOLECULAR STUDIES (US) | 1997-05-09 | — | — | WO | claimed |