⚠ 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 | |
|---|---|---|---|---|
| Dimethylformamide SCHEMBL28206084 | 0.91 | TSHR (0.50) | — | |
| Formic Acid SCHEMBL29929323 | 0.83 | — | — | |
| Hydrazine SCHEMBL28305510 | 0.82 | — | — | |
| SCHEMBL2415 | 0.82 | — | — | |
| SCHEMBL4820393 | 0.82 | — | — | |
| SCHEMBL30581185 | 0.82 | — | — | |
| SCHEMBL30581182 | 0.82 | — | — | |
| SCHEMBL1332099 | 0.82 | — | — | |
| SCHEMBL1190178 | 0.82 | — | — | |
| SCHEMBL1925147 | 0.82 | ALDH1A1 (0.50) | — |
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 11 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-113577909-B | Composite filter material with dual functions and preparation method thereof | 东华大学 | 2022-09-16 | — | — | CN | disclosed |
| CN-113577909-A | Composite filter material with dual functions and preparation method thereof | 东华大学 | 2021-11-02 | — | — | CN | disclosed |
| CN-111624130-A | Method for testing fiber content of wool/spandex product | 湖南工程学院 | 2020-09-04 | — | — | CN | disclosed |
| US-10626220-B2 | Precursor for polyimide and use thereof | ETERNAL MATERIALS CO., LTD. (TW) | 2020-04-21 | — | — | US | disclosed |
| WO-2019159191-A1 | AN IMPROVED PROCESS FOR PREPARATION OF SUGAMMADEX SODIUM | EXTROVIS AG EXTROVIS PRIVATE LIMITED (IN) | 2019-08-22 | — | — | WO | disclosed |
| CN-109073816-A | Anti-flammability polarizer and the liquid crystal display for using the polarizer | 日本化药株式会社 | 2018-12-21 | — | — | CN | disclosed |
| CN-105990579-B | A kind of graphene conductive polymer lead-acid battery and preparation method thereof | 超威电源有限公司 | 2018-09-07 | — | — | CN | disclosed |
| US-20180148544-A1 | PRECURSOR FOR POLYIMIDE AND USE THEREOF | ETERNAL MATERIAL CO., LTD. (TW) | 2018-05-31 | — | — | US | disclosed |
| CN-105254582-B | Process for the production of 3, 4-dichloro-N- (2-cyano-phenyl) -5-isothiazolecarboxamide | 拜耳知识产权有限责任公司 | 2017-12-26 | — | — | CN | disclosed |
| CN-105990579-A | Graphene conducting polymer lead-acid cell and preparation method thereof | 超威电源有限公司 | 2016-10-05 | — | — | CN | disclosed |
| US-5086150-A | Polyurethane-ureas | BAYER AKTIENGESELLSCHAFT (DE) | 1992-02-04 | — | — | US | disclosed |