⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6567921 | 1.00 | TDP1 (0.43) | — | |
| SCHEMBL12060989 | 0.97 | — | — | |
| SCHEMBL896226 | 0.97 | — | — | |
| SCHEMBL37019 | 0.90 | — | — | |
| SCHEMBL12513244 | 0.90 | — | — | |
| SCHEMBL12060984 | 0.90 | — | — | |
| Methoxymethane SCHEMBL27641864 | 0.81 | TDP1 (0.40) | — | |
| SCHEMBL134504 | 0.81 | — | — | |
| SCHEMBL16611609 | 0.80 | — | — | |
| SCHEMBL27631662 | 0.80 | ADH1A (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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-107408734-B | Nonaqueous electrolyte solution and nonaqueous electrolyte secondary battery using same | 三菱化学株式会社 | 2020-08-18 | — | — | CN | disclosed |
| WO-2019201131-A1 | DI(HETERO)ARYL MACROCYCLIC COMPOUND FOR INHIBITING PROTEIN KINASE ACTIVITY | 深圳市塔吉瑞生物医药有限公司 | 2019-10-24 | — | — | WO | disclosed |
| WO-2019154091-A1 | SUBSTITUTED DIAMINOPYRIMIDINE COMPOUND | 深圳市塔吉瑞生物医药有限公司 | 2019-08-15 | — | — | WO | disclosed |
| US-8822696-B2 | Ligand for asymmetric synthesis catalyst, and process for production of alpha-alkenyl cyclic compound using the same | NATIONAL UNIVERSITY CORPORATION NAGOYA UNIVERSITY (JP) | 2014-09-02 | — | — | US | disclosed |
| US-8822696-B2 | Ligand for asymmetric synthesis catalyst, and process for production of alpha-alkenyl cyclic compound using the same | NATIONAL UNIVERSITY CORPORATION NAGOYA UNIVERSITY (JP) | 2014-09-02 | — | — | US | disclosed |
| US-20120220780-A1 | LIGAND FOR ASYMMETRIC SYNTHESIS CATALYST, AND PROCESS FOR PRODUCTION OF ALPHA-ALKENYL CYCLIC COMPOUND USING SAME | NATIONAL UNIVERSITY CORPORATION NAGOYA UNIVERSITY (JP) | 2012-08-30 | — | — | US | disclosed |
| US-20120220780-A1 | LIGAND FOR ASYMMETRIC SYNTHESIS CATALYST, AND PROCESS FOR PRODUCTION OF ALPHA-ALKENYL CYCLIC COMPOUND USING SAME | NATIONAL UNIVERSITY CORPORATION NAGOYA UNIVERSITY (JP) | 2012-08-30 | — | — | US | disclosed |