⚠ 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 | |
|---|---|---|---|---|
| Tetrahydrofuran SCHEMBL25298377 | 0.96 | — | — | |
| Tetrahydrofuran SCHEMBL3782865 | 0.87 | — | — | |
| Tetrahydrofuran SCHEMBL1539227 | 0.82 | — | — | |
| Tetrahydrofuran SCHEMBL17162024 | 0.82 | — | — | |
| Tetrahydrofuran SCHEMBL27261908 | 0.82 | — | — | |
| Tetrahydrofuran SCHEMBL4110507 | 0.82 | ALDH1A1 (0.53) | — | |
| SCHEMBL3455441 | 0.82 | ALDH1A1 (1.00) | — | |
| Tetrahydrofuran SCHEMBL1982618 | 0.82 | — | — | |
| SCHEMBL9576477 | 0.82 | ALDH1A1 (1.00) | — | |
| Tetrahydrofuran SCHEMBL6298732 | 0.82 | — | — |
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 64 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-114478211-B | Preparation method of etazocine intermediate | 广州一品红制药有限公司 | 2024-01-09 | — | — | CN | claimed |
| CN-114478213-B | Method for preparing etazocine intermediate by utilizing micro-channel device | 广州一品红制药有限公司 | 2023-12-08 | — | — | CN | claimed |
| CN-114478213-A | Method for preparing eptazocine intermediate by using microchannel device | 广州一品红制药有限公司 | 2022-05-13 | — | — | CN | claimed |
| CN-114478211-A | Preparation method of eptazocine intermediate | 广州一品红制药有限公司 | 2022-05-13 | — | — | CN | claimed |
| CN-112321494-B | Method for preparing 2-chloro-4-isopropylpyridine | 上海凌凯医药科技有限公司 | 2022-04-19 | — | — | CN | claimed |
| CN-118307623-A | Steroid compound, application thereof and pharmaceutical composition containing steroid compound | 北京华睿鼎信科技有限公司 | 2024-07-09 | — | — | CN | disclosed |
| CN-118176179-A | Novel spiro compounds | 田边三菱制药株式会社 | 2024-06-11 | — | — | CN | disclosed |
| CN-115611890-B | Novel thiophene BET bromodomain inhibitor, preparation method and medical application thereof | 成都硕德药业有限公司 | 2024-05-31 | — | — | CN | disclosed |
| CN-118076592-A | SHP2 inhibitor, pharmaceutical composition comprising same and use thereof | 北京泰德制药股份有限公司 | 2024-05-24 | — | — | CN | disclosed |
| CN-118063481-A | Condensed-cyclic compound and application thereof in organic electroluminescent device | 西安瑞联新材料股份有限公司 | 2024-05-24 | — | — | CN | disclosed |
| WO-2024104398-A1 | PYRIDINE NITROGEN OXIDE DERIVATIVE, PHARMACEUTICAL COMPOSITION THEREOF, PREPARATION METHOD THEREFOR AND USE THEREOF | 上海美悦生物科技发展有限公司 | 2024-05-23 | — | — | WO | disclosed |
| WO-2024088408-A1 | NITROGEN-CONTAINING HETEROCYCLIC COMPOUND, PHARMACEUTICALLY ACCEPTABLE SALT THEREOF, PREPARATION METHOD THEREFOR AND USE THEREOF | 纽欧申医药(上海)有限公司 | 2024-05-02 | — | — | WO | disclosed |
| EP-2394999-B1 | AMINOPYRAZINE DERIVATIVE AND MEDICINE | NIPPON SHINYAKU CO LTD (JP) | 2014-01-29 | — | — | EP | disclosed |
| US-8586591-B2 | Aminopyrazine derivative and medicine | NIPPON SHINYAKU CO., LTD. (JP) | 2013-11-19 | — | — | US | disclosed |
| US-8586505-B2 | 4-(3-butynyl)aminopyrimidine derivatives as pest control agents for agricultural and horticultural use | SDS BIOTECH K. K. (JP) | 2013-11-19 | — | — | US | disclosed |
| US-20130131082-A1 | Aminopyrazine Derivative and Medicine | NIPPON SHINYAKU CO., LTD (JP) | 2013-05-23 | — | — | US | disclosed |
| US-20120136150-A1 | 4-(3-Butynyl)Aminopyrimidine Derivatives as Pest Control Agents for Agricultural and Horticultural Use | SDS BIOTECH K.K. (JP) | 2012-05-31 | — | — | US | disclosed |
| EP-2394999-A1 | AMINOPYRAZINE DERIVATIVE AND MEDICINE | Nippon Shinyaku Co., Ltd. (JP) | 2011-12-14 | — | — | EP | disclosed |
| US-20110288065-A1 | AMINOPYRAZINE DERIVATIVE AND MEDICINE | NIPPON SHINYAKU CO., LTD. (JP) | 2011-11-24 | — | — | US | disclosed |
| US-7115750-B1 | Melanin concentrating hormone antagonist | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2006-10-03 | — | — | US | disclosed |