⚠ 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 | |
|---|---|---|---|---|
| Pyridine SCHEMBL27847499 | 1.00 | — | — | |
| Pyridine SCHEMBL27519155 | 0.95 | — | — | |
| Pyridine SCHEMBL27519156 | 0.95 | TSHR (0.82) | — | |
| Pyridine SCHEMBL3118016 | 0.95 | — | — | |
| Pyridine SCHEMBL9037865 | 0.95 | TSHR (1.00) | — | |
| Pyridine SCHEMBL16 | 0.95 | — | — | |
| Benzene SCHEMBL10751789 | 0.95 | TSHR (1.00) | — | |
| Pyridine SCHEMBL180431 | 0.95 | TSHR (1.00) | — | |
| Benzene SCHEMBL1261317 | 0.95 | TSHR (1.00) | — | |
| Pyridine SCHEMBL933604 | 0.95 | TSHR (1.00) | — |
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 15 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-114790217-A | Boron-containing self-ignition ionic liquid and preparation method thereof | 哈尔滨工业大学（深圳） | 2022-07-26 | — | — | CN | claimed |
| CN-114773367-A | Boron-nitrogen fused ring spontaneous combustion ionic liquid and preparation method thereof | 哈尔滨工业大学（深圳） | 2022-07-22 | — | — | CN | claimed |
| CN-111072451-B | Hydrolysis process of Grignard reaction metal organic product | 上虞新和成生物化工有限公司 | 2021-04-02 | — | — | CN | claimed |
| CN-106816541-A | Phosphorescent blue oled device | 瑞声科技（南京）有限公司 | 2017-06-09 | — | — | CN | claimed |
| CN-114790217-B | Boron-containing self-ignition ionic liquid and preparation method thereof | 哈尔滨工业大学（深圳） | 2023-09-12 | — | — | CN | disclosed |
| CN-114773367-B | Boron aza condensed ring spontaneous combustion ionic liquid and preparation method thereof | 哈尔滨工业大学（深圳） | 2023-09-12 | — | — | CN | disclosed |
| CN-113773246-B | Preparation method of 2-substituted-4-trifluoromethylpyridine | 山东省农药科学研究院 | 2023-03-31 | — | — | CN | disclosed |
| CN-114790217-A | Boron-containing self-ignition ionic liquid and preparation method thereof | 哈尔滨工业大学（深圳） | 2022-07-26 | — | — | CN | disclosed |
| CN-114773367-A | Boron-nitrogen fused ring spontaneous combustion ionic liquid and preparation method thereof | 哈尔滨工业大学（深圳） | 2022-07-22 | — | — | CN | disclosed |
| CN-106816541-A | Phosphorescent blue oled device | 瑞声科技（南京）有限公司 | 2017-06-09 | — | — | CN | disclosed |
| CN-101823692-B | Reversible hydrogen adsorption and desorption method using piperidine as media and device | UNIV ZHEJIANG | 2012-03-14 | — | — | CN | disclosed |
| CN-101823692-A | Reversible hydrogen adsorption and desorption method using piperidine as media and device | UNIV ZHEJIANG | 2010-09-08 | — | — | CN | disclosed |
| WO-2009073246-A1 | METHOD FOR THE SYNTHESIS OF IRIDIUM (III) COMPLEXES WITH STERICALLY DEMANDING LIGANDS | UNIVERSAL DISPLAY CORPORATION (US) | 2009-06-11 | — | — | WO | disclosed |
| EP-1765394-A1 | METHODS FOR PREPARING IMMUNOGENIC CONJUGATES | THE GOVERNMENT OF THE UNITED STATES OF AMERICA, represented by THE DEPARTMENT OF HEALTH & HUMAN SERVICES (US) | 2007-03-28 | — | — | EP | disclosed |
| WO-2005117965-A1 | METHODS FOR PREPARING IMMUNOGENIC CONJUGATES | THE GOVERNMENT OF THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) | 2005-12-15 | — | — | WO | disclosed |