⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL11593833 | 0.98 | — | — | |
| SCHEMBL9416877 | 0.80 | — | — | |
| SCHEMBL8690349 | 0.80 | — | — | |
| SCHEMBL5558586 | 0.75 | MAPT (0.39) | — | |
| SCHEMBL8688355 | 0.72 | — | — | |
| SCHEMBL28230760 | 0.71 | HTR3A (0.35) | — | |
| SCHEMBL9425425 | 0.71 | — | — | |
| SCHEMBL8686787 | 0.70 | KDM1A (0.31) | — | |
| SCHEMBL11738873 | 0.68 | MAPT (0.36) | — | |
| SCHEMBL37603 | 0.68 | — | — |
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 21 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-114391011-A | Hexahydro-benzo-pyrazole derivative and preparation thereof | 四川海思科制药有限公司 | 2022-04-22 | — | — | CN | claimed |
| WO-2021047581-A1 | HEXAHYDROBENZOPYRAZOLE DERIVATIVE AND PREPARATION THEREFOF | 四川海思科制药有限公司 | 2021-03-18 | — | — | WO | claimed |
| CN-105085401-B | The LOX activator of hexahydro indazole class 15 and application | 北京大学 | 2018-02-13 | — | — | CN | claimed |
| WO-2010077740-A2 | NOVEL ANTIVIRAL COMPOUNDS, COMPOSITIONS, AND METHODS OF USE | CYTOKINE PHARMASCIENCES, INC. (US) | 2010-07-08 | — | — | WO | claimed |
| JP-59084872-A | — | — | None | — | — | JP | disclosed |
| CN-114391011-A | Hexahydro-benzo-pyrazole derivative and preparation thereof | 四川海思科制药有限公司 | 2022-04-22 | — | — | CN | disclosed |
| CN-114391011-A | Hexahydro-benzo-pyrazole derivative and preparation thereof | 四川海思科制药有限公司 | 2022-04-22 | — | — | CN | disclosed |
| WO-2021047581-A1 | HEXAHYDROBENZOPYRAZOLE DERIVATIVE AND PREPARATION THEREFOF | 四川海思科制药有限公司 | 2021-03-18 | — | — | WO | disclosed |
| WO-2021047581-A1 | HEXAHYDROBENZOPYRAZOLE DERIVATIVE AND PREPARATION THEREFOF | 四川海思科制药有限公司 | 2021-03-18 | — | — | WO | disclosed |
| CN-105085401-B | The LOX activator of hexahydro indazole class 15 and application | 北京大学 | 2018-02-13 | — | — | CN | disclosed |
| CN-105085401-B | The LOX activator of hexahydro indazole class 15 and application | 北京大学 | 2018-02-13 | — | — | CN | disclosed |
| CN-105085401-B | The LOX activator of hexahydro indazole class 15 and application | 北京大学 | 2018-02-13 | — | — | CN | disclosed |
| CN-105085401-A | Hexahydroindazole 15-lipoxidase (15-LOX) activator and application thereof | UNIV BEIJING | 2015-11-25 | — | — | CN | disclosed |
| WO-2010077740-A2 | NOVEL ANTIVIRAL COMPOUNDS, COMPOSITIONS, AND METHODS OF USE | CYTOKINE PHARMASCIENCES, INC. (US) | 2010-07-08 | — | — | WO | disclosed |
| EP-0825166-B1 | Methyl substituted hexahydroindanols and perfumery uses thereof | INT FLAVORS & FRAGRANCES INC (US) | 2001-10-31 | — | — | EP | disclosed |
| EP-0825166-A3 | Methyl substituted hexahydroindanols and perfumery uses thereof | INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) | 1999-04-14 | — | — | EP | disclosed |
| US-5834499-A | TREATING GASTROINTESTINAL DISORDERS | YAMANOUCHI PHARMACEUTICAL CO., LTD. (JP) | 1998-11-10 | — | — | US | disclosed |
| EP-0825166-A2 | Methyl substituted hexahydroindanols and perfumery uses thereof | INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) | 1998-02-25 | — | — | EP | disclosed |
| EP-0749966-A1 | 5-HT 3 RECEPTOR AGONIST, NOVEL THIAZOLE DERIVATIVE, AND INTERMEDIATE THEREFOR | YAMANOUCHI PHARMACEUTICAL CO. LTD. (JP) | 1996-12-27 | — | — | EP | disclosed |
| JP-S5984872-A | 2H-INDAZOLE DERIVATIVE, ITS PREPARATION AND HERBICIDE CONTAINING SAID DERIVATIVE AS ACTIVE COMPONENT | SUMITOMO CHEM CO LTD | 1984-05-16 | — | — | JP | disclosed |