⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL16790679 | 1.00 | — | — | |
| SCHEMBL20835098 | 0.88 | BRD4 (0.34) | — | |
| SCHEMBL1776380 | 0.86 | PIK3CD (0.40) | — | |
| SCHEMBL15777293 | 0.81 | — | — | |
| SCHEMBL16208584 | 0.81 | — | — | |
| SCHEMBL628314 | 0.80 | — | — | |
| SCHEMBL1691652 | 0.80 | — | — | |
| SCHEMBL628315 | 0.80 | — | — | |
| SCHEMBL23085402 | 0.79 | ALDH1A1 (0.35) | — | |
| SCHEMBL17445693 | 0.79 | LIPA (0.36) | — |
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 14 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3932404-A1 | METHOD FOR TREATING FATTY LIVER DISEASE AND/OR STEATOHEPATITIS | Beijing Tide Pharmaceutical Co., Ltd. (CN) | 2022-01-05 | — | — | EP | disclosed |
| WO-2021000785-A1 | PYRROLO[2,3-B]PYRIDINE DERIVATIVES AS SELECTIVE INHIBITORS OF JANUS KINASE 1 | 深圳美莹基因科技有限公司 | 2021-01-07 | — | — | WO | disclosed |
| WO-2019001572-A1 | RHO-ASSOCIATED PROTEIN KINASE INHIBITOR, PHARMACEUTICAL COMPOSITION COMPRISING SAME, AND PREPARATION METHOD AND USE THEREOF | 北京泰德制药股份有限公司 | 2019-01-03 | — | — | WO | disclosed |
| EP-3169665-B1 | SUBSTITUTED AZA-SPIRO(4.5)DECANE DERIVATIVES | GRUENENTHAL GMBH (DE) | 2018-05-09 | — | — | EP | disclosed |
| EP-3083583-A1 | HETEROCYCLIC MODULATORS OF LIPID SYNTHESIS AND COMBINATIONS THEREOF | 3-V Biosciences, Inc. (US) | 2016-10-26 | — | — | EP | disclosed |
| WO-2016008583-A1 | SUBSTITUTED AZA-SPIRO(4.5)DECAN-DERIVATIVES | Grünenthal GmbH (DE) | 2016-01-21 | — | — | WO | disclosed |
| US-20160016903-A1 | Substituted Azaspiro(4.5)Decane Derivatives | GRUENENTHAL GMBH (DE) | 2016-01-21 | — | — | US | disclosed |
| WO-2015095767-A1 | HETEROCYCLIC MODULATORS OF LIPID SYNTHESIS AND COMBINATIONS THEREOF | 3-V BIOSCIENCES, INC. (US) | 2015-06-25 | — | — | WO | disclosed |
| EP-2870150-A1 | HETEROCYCLIC MODULATORS OF LIPID SYNTHESIS | 3-V Biosciences, Inc. (US) | 2015-05-13 | — | — | EP | disclosed |
| WO-2014008197-A1 | HETEROCYCLIC MODULATORS OF LIPID SYNTHESIS | 3-V BIOSCIENCES, INC. (US) | 2014-01-09 | — | — | WO | disclosed |
| US-8455497-B2 | Inhibitors of aspartyl protease | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2013-06-04 | — | — | US | disclosed |
| US-8455497-B2 | Inhibitors of aspartyl protease | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2013-06-04 | — | — | US | disclosed |
| US-20090274650-A1 | INHIBITORS OF ASPARTYL PROTEASE | VERTEX PHARMACEUTICALS INCORPORATED | 2009-11-05 | — | — | US | disclosed |
| US-20090274650-A1 | INHIBITORS OF ASPARTYL PROTEASE | VERTEX PHARMACEUTICALS INCORPORATED | 2009-11-05 | — | — | US | disclosed |