⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5976 | 0.82 | TSHR (0.36) | — | |
| Iodide SCHEMBL588864 | 0.79 | TSHR (0.35) | — | |
| Butane SCHEMBL379581 | 0.73 | PTPN1 (0.40) | — | |
| SCHEMBL17072788 | 0.73 | PTPN1 (0.33) | — | |
| SCHEMBL18835801 | 0.71 | — | — | |
| SCHEMBL14021462 | 0.71 | — | — | |
| SCHEMBL9678981 | 0.71 | TSHR (0.42) | — | |
| SCHEMBL14224446 | 0.70 | — | — | |
| SCHEMBL12094443 | 0.68 | — | — | |
| SCHEMBL18825550 | 0.68 | GLA (0.35) | — |
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 19 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20230399343-A1 | PROCESS OF MAKING CFTR MODULATORS | VERTEX PHARMACEUTICALS (SAN DIEGO) LLC | 2023-12-14 | — | — | US | disclosed |
| US-20230142285-A1 | SUBSTITUTED STRAIGHT CHAIN SPIRO DERIVATIVES | JANSSEN PHARMACEUTICA NV (BE) | 2023-05-11 | — | — | US | disclosed |
| WO-2021257754-A1 | SMALL MOLECULE VE-PTP INHIBITORS | RIPKA, AMY (US) | 2021-12-23 | — | — | WO | disclosed |
| WO-2017211666-A1 | 5-[3-[PIPERAZIN-1-YL]-3-OXO-PROPYL]-IMIDAZOLIDINE-2,4-DIONE DERIVATIVES AS ADAMTS 4 AND 5 INHIBITORS FOR TREATING E.G. OSTEOARTHRITIS | GALAPAGOS NV (BE) | 2017-12-14 | — | — | WO | disclosed |
| US-9579390-B2 | Compounds and methods for producing a conjugate | REDWOOD BIOSCIENCE, INC. (US) | 2017-02-28 | — | — | US | disclosed |
| US-20170049907-A1 | HYDRAZINYL-PYRROLO COMPOUNDS AND METHODS FOR PRODUCING A CONJUGATE | CATALENT PHARMA SOLUTIONS, LLC | 2017-02-23 | — | — | US | disclosed |
| US-20170008927-A1 | ARTIFICIAL CATALYST SYSTEM SUBSTITUTABLE FOR IN VIVO ACYLATION FUNCTION | THE UNIVERSITY OF TOKYO (JP) | 2017-01-12 | — | — | US | disclosed |
| US-9499563-B2 | Thieno [2, 3-B] pyridine derivatives as viral replication inhibitors | KATHOLIEKE UNIVERSITEIT LEUVEN (BE) | 2016-11-22 | — | — | US | disclosed |
| US-9340644-B2 | Self-sensitive polymerizable liquid resin and use thereof | ETERNAL MATERIALS CO., LTD. (TW) | 2016-05-17 | — | — | US | disclosed |
| WO-2016033397-A1 | LUBRICATING COMPOSITION WITH SEALS COMPATIBILITY | THE LUBRIZOL CORPORATION (US) | 2016-03-03 | — | — | WO | disclosed |
| US-20160038602-A1 | Compounds and Methods for Producing a Conjugate | REDWOOD BIOSCIENCE, INC. | 2016-02-11 | — | — | US | disclosed |
| US-20150368264-A1 | SYNTHESIS OF POLYCYCLIC-CARBAMOYLPYRIDONE COMPOUNDS | GILEAD SCIENCES, INC. | 2015-12-24 | — | — | US | disclosed |
| WO-2015144001-A1 | QUINOLINE DERIVATIVES AS SMO INHIBITORS | 南京明德新药研发股份有限公司 | 2015-10-01 | — | — | WO | disclosed |
| EP-2799437-A1 | QUINOLINE AND CINNOLINE COMPOUNDS AND USE THEREOF | Shenyang Pharmaceutical University (CN) | 2014-11-05 | — | — | EP | disclosed |
| US-20130296485-A1 | SELF-SENSITIVE POLYMERIZABLE LIQUID RESIN AND USE THEREOF | ETERNAL CHEMICAL CO., LTD. (TW) | 2013-11-07 | — | — | US | disclosed |
| EP-2285845-B1 | LOW OUTGASSING PHOTORESIST COMPOSITIONS | IBM (US) | 2013-09-04 | — | — | EP | disclosed |
| WO-2013097280-A1 | QUINOLINE AND CINNOLINE COMPOUNDS AND USE THEREOF | 沈阳药科大学 (CN) | 2013-07-04 | — | — | WO | disclosed |
| US-20120070413-A1 | METHOD OF TREATING CANCER WITH SUBSTITUTED AMIDE DERIVATIVES | KIM TAE-SEONG (US) | 2012-03-22 | — | — | US | disclosed |
| WO-2011061214-A1 | NOVEL HETEROCYCLIC ACRYLAMIDES AND THEIR USE AS PHARMACEUTICALS | FAB PHARMA SAS (FR) | 2011-05-26 | — | — | WO | disclosed |