⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8160409 | 1.00 | — | — | |
| SCHEMBL92676 | 1.00 | — | — | |
| Bicarbonate SCHEMBL14991400 | 0.91 | AKR1B1 (0.39) | — | |
| SCHEMBL4451314 | 0.83 | HIF1A (0.39) | — | |
| SCHEMBL1922150 | 0.75 | — | — | |
| SCHEMBL27263515 | 0.75 | — | — | |
| Isobutyraldehyde SCHEMBL176051 | 0.73 | TSHR (0.60) | — | |
| SCHEMBL2913691 | 0.73 | AKR1B1 (0.40) | — | |
| SCHEMBL6439082 | 0.72 | — | — | |
| SCHEMBL3401523 | 0.72 | TSHR (0.47) | — |
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 38 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-101845091-A | Metastin derivative and use thereof | TAKEDA PHARMACEUTICAL | 2010-09-29 | — | — | CN | claimed |
| CN-112830935-B | Crystal form containing tricyclic derivative free alkali and pharmaceutical composition thereof | 上海翰森生物医药科技有限公司 | 2023-12-22 | — | — | CN | disclosed |
| CN-112789279-B | Inhibitor containing tricyclic derivatives, preparation method and application thereof | 上海翰森生物医药科技有限公司 | 2023-09-29 | — | — | CN | disclosed |
| US-9796980-B2 | Microbial engineering for the production of chemical and pharmaceutical products from the isoprenoid pathway | MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) | 2017-10-24 | — | — | US | disclosed |
| US-20170002382-A1 | MICROBIAL ENGINEERING FOR THE PRODUCTION OF CHEMICAL AND PHARMACEUTICAL PRODUCTS FROM THE ISOPRENOID PATHWAY | MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) | 2017-01-05 | — | — | US | disclosed |
| US-20170002366-A1 | MICROBIAL ENGINEERING FOR THE PRODUCTION OF CHEMICAL AND PHARMACEUTICAL PRODUCTS FROM THE ISOPRENOID PATHWAY | MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) | 2017-01-05 | — | — | US | disclosed |
| US-9404130-B2 | Microbial engineering for the production of chemical and pharmaceutical products from the isoprenoid pathway | MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) | 2016-08-02 | — | — | US | disclosed |
| US-9359624-B2 | Microbial engineering for the production of chemical and pharmaceutical products from the isoprenoid pathway | MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) | 2016-06-07 | — | — | US | disclosed |
| EP-2594648-B1 | Microbial engineering for the production of chemical and pharmaceutical products from the isoprenoid pathway | MASSACHUSETTS INST TECHNOLOGY (US) | 2016-03-16 | — | — | EP | disclosed |
| US-20150152446-A1 | MICROBIAL ENGINEERING FOR THE PRODUCTION OF CHEMICAL AND PHARMACEUTICAL PRODUCTS FROM THE ISOPRENOID PATHWAY | NATIONAL UNIVERSITY OF SINGAPORE (SG) | 2015-06-04 | — | — | US | disclosed |
| CN-101528772-A | Metastin derivatives and uses thereof | TAKEDA PHARMACEUTICAL (JP) | 2009-09-09 | — | — | CN | disclosed |
| US-20090215700-A1 | Metastin derivatives and use thereof | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2009-08-27 | — | — | US | disclosed |
| EP-2081955-A1 | METASTIN DERIVATIVES AND USE THEREOF | Takeda Pharmaceutical Company Limited (JP) | 2009-07-29 | — | — | EP | disclosed |
| US-20080312155-A1 | Metastin Derivatives and Use Thereof | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2008-12-18 | — | — | US | disclosed |
| WO-2008050897-A1 | METASTIN DERIVATIVES AND USE THEREOF | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2008-05-02 | — | — | WO | disclosed |
| CN-1972959-A | Metastin derivative and use thereof | TAKEDA PHARMACEUTICAL (JP) | 2007-05-30 | — | — | CN | disclosed |
| EP-1758932-A2 | METASTIN DERIVATIVES AND USE THEREOF | Takeda Pharmaceutical Company Limited (JP) | 2007-03-07 | — | — | EP | disclosed |
| US-20070015260-A1 | Synthesis of synthons for the manufacture of bioactive compounds | DIVERSA CORPORATION | 2007-01-18 | — | — | US | disclosed |
| US-20070015260-A1 | Synthesis of synthons for the manufacture of bioactive compounds | DIVERSA CORPORATION | 2007-01-18 | — | — | US | disclosed |
| WO-2006001499-A2 | METASTIN DERIVATIVES AND USE THEREOF | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2006-01-05 | — | — | WO | disclosed |