⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL30565541 | 1.00 | — | — | |
| SCHEMBL10543021 | 0.82 | ALDH1A1 (0.36) | — | |
| SCHEMBL12260190 | 0.75 | — | — | |
| SCHEMBL12520646 | 0.70 | — | — | |
| SCHEMBL24465596 | 0.69 | MAPK1 (0.30) | — | |
| SCHEMBL19673991 | 0.69 | — | — | |
| SCHEMBL29380195 | 0.67 | CYP19A1 (0.33) | — | |
| SCHEMBL12520635 | 0.67 | — | — | |
| SCHEMBL3151564 | 0.67 | GRIN2D (0.30) | — | |
| SCHEMBL9375579 | 0.67 | CYP19A1 (0.33) | — |
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 23 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-115417374-B | Dehydrogenation method and dehydrogenation device for organic liquid hydrogen storage material | 云南电网有限责任公司电力科学研究院 | 2023-11-21 | — | — | CN | disclosed |
| CN-115417374-A | Dehydrogenation method and dehydrogenation device for organic liquid hydrogen storage material | 云南电网有限责任公司电力科学研究院 | 2022-12-02 | — | — | CN | disclosed |
| EP-3988551-A1 | CDK KINASE INHIBITOR | Beijing Benicall Biotech Co., Ltd. (CN) | 2022-04-27 | — | — | EP | disclosed |
| CN-108473484-B | Compounds useful as TRPM8 modulators | 弗门尼舍公司 | 2021-06-29 | — | — | CN | disclosed |
| CN-110072864-A | TDO2 INHIBITORS | 基因泰克公司 | 2019-07-30 | — | — | CN | disclosed |
| EP-2951153-B1 | SELECTIVE HDAC3 INHIBITORS | REGENACY PHARMACEUTICALS LLC (US) | 2019-04-03 | — | — | EP | disclosed |
| CN-108473484-A | Compounds useful as TRPM8 modulators | 赛诺米克斯公司 | 2018-08-31 | — | — | CN | disclosed |
| CN-104188971-B | SELECTIVE ANDROGEN RECEPTOR MODULATORS (SARMS) AND USES THEREOF | 配体药物公司 | 2017-05-03 | — | — | CN | disclosed |
| CN-104370834-B | Triazole derivative | 株式会社半导体能源研究所 | 2017-04-19 | — | — | CN | disclosed |
| CN-105209459-A | Perhydroquinoxaline derivatives useful as analgesics | WOLFF AUGUST GMBH & CO KG ARZNEIMITTEL DR | 2015-12-30 | — | — | CN | disclosed |
| CN-102797043-A | Medicinal molecular fragment library and construction method thereof | CBB NETWORK CO LTD | 2012-11-28 | — | — | CN | disclosed |
| EP-2502909-A1 | AMINOPYRIDINE DERIVATIVE | Takeda Pharmaceutical Company Limited (JP) | 2012-09-26 | — | — | EP | disclosed |
| EP-2125735-B1 | 2,2,2-TRI-SUBSTITUTED ACETAMIDE DERIVATIVES AS GLUCOKINASE ACTIVATORS, THEIR PROCESS AND PHARMACEUTICAL APPLICATION | ADVINUS THERAPEUTICS PRIVATE LTD (IN) | 2012-06-27 | — | — | EP | disclosed |
| EP-2431362-A1 | 3-(4-AMINOPHENYL)-2-FURANCARBOXYLIC ACID DERIVATIVE AND PHARMACEUTICALLY ACCEPTABLE SALT THEREOF | Dainippon Sumitomo Pharma Co., Ltd. (JP) | 2012-03-21 | — | — | EP | disclosed |
| US-7476673-B2 | Disubstituted chalcone oximes as selective agonists of RARγ retinoid receptors | ALLERGAN, INC. (US) | 2009-01-13 | — | — | US | disclosed |
| WO-2007056341-A1 | HETEROCYCLIC MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2007-05-18 | — | — | WO | disclosed |
| CN-1067988-C | Indoloylguanidine derivatives | SUMITOMO PHARMACEUTICS K K (JP) | 2001-07-04 | — | — | CN | disclosed |
| CN-1051301-C | Indoloylguanidine derivatives | SUMITOMO PHARMA (JP) | 2000-04-12 | — | — | CN | disclosed |
| CN-1136038-A | Indoloylguanidine derivatives | SUMITOMO PHARMACEUTICS K K (JP) | 1996-11-20 | — | — | CN | disclosed |
| CN-1106800-A | Indoloylguanidine derivatives | SUMITOMO PHARMA (JP) | 1995-08-16 | — | — | CN | disclosed |