⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL486485 | 0.74 | TSHR (0.31) | — | |
| SCHEMBL9261875 | 0.73 | — | — | |
| Phosphine SCHEMBL28531842 | 0.71 | TSHR (0.35) | — | |
| SCHEMBL4253621 | 0.71 | — | — | |
| SCHEMBL12604843 | 0.71 | — | — | |
| Fluoride SCHEMBL12079669 | 0.71 | — | — | |
| SCHEMBL17333272 | 0.71 | ALDH1A1 (0.32) | — | |
| SCHEMBL9265359 | 0.69 | TSHR (0.41) | — | |
| SCHEMBL212639 | 0.69 | — | — | |
| SCHEMBL1634012 | 0.69 | TP53 (0.30) | — |
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 16 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2598486-A1 | BICYCLIC ACETYL-COA CARBOXYLASE INHIBITORS | Novartis AG (CH) | 2013-06-05 | — | — | EP | claimed |
| US-20120028969-A1 | BICYCLIC ACETYL-COA CARBOXYLASE INHIBITORS AND USES THEREOF | NOVARTIS AG (CH) | 2012-02-02 | — | — | US | claimed |
| WO-2012013716-A1 | BICYCLIC ACETYL-COA CARBOXYLASE INHIBITORS | NOVARTIS AG (CH) | 2012-02-02 | — | — | WO | claimed |
| US-10439252-B2 | Electrolyte solution for electrochemical device, and electrochemical device | FUJIFILM WAKO PURE CHEMICAL CORPORATION (JP) | 2019-10-08 | — | — | US | disclosed |
| US-9789118-B2 | Bicyclic acetyl-CoA carboxylase inhibitors and uses thereof | NOVARTIS AG (CH) | 2017-10-17 | — | — | US | disclosed |
| EP-2598486-B1 | BICYCLIC ACETYL-COA CARBOXYLASE INHIBITORS | NOVARTIS AG (CH) | 2017-06-28 | — | — | EP | disclosed |
| US-20150364792-A1 | ELECTROLYTE SOLUTION FOR ELECTROCHEMICAL DEVICE, AND ELECTROCHEMICAL DEVICE | WAKO PURE CHEMICAL INDUSTRIES, LTD. (JP) | 2015-12-17 | — | — | US | disclosed |
| US-20140171363-A1 | BICYCLIC ACETYL-COA CARBOXYLASE INHIBITORS AND USES THEREOF | NOVARTIS AG (CH) | 2014-06-19 | — | — | US | disclosed |
| US-8697739-B2 | Bicyclic acetyl-CoA carboxylase inhibitors and uses thereof | NOVARTIS AG (CH) | 2014-04-15 | — | — | US | disclosed |
| EP-2598486-A1 | BICYCLIC ACETYL-COA CARBOXYLASE INHIBITORS | Novartis AG (CH) | 2013-06-05 | — | — | EP | disclosed |
| US-20120028969-A1 | BICYCLIC ACETYL-COA CARBOXYLASE INHIBITORS AND USES THEREOF | NOVARTIS AG (CH) | 2012-02-02 | — | — | US | disclosed |
| WO-2012013716-A1 | BICYCLIC ACETYL-COA CARBOXYLASE INHIBITORS | NOVARTIS AG (CH) | 2012-02-02 | — | — | WO | disclosed |
| US-5391564-A | E.g., rhizoxin-13-yl 3-methylthiopropionate; anticarcinogenic agents | SANKYO COMPANY, LIMITED (JP) | 1995-02-21 | — | — | US | disclosed |
| US-5352689-A | Rhizoxin derivatives and their use as anti-tumor agents | SANKYO COMPANY, LIMITED (JP) | 1994-10-04 | — | — | US | disclosed |
| EP-0350315-B1 | RHIZOXIN DERIVATES AND THEIR USE AS ANTI-TUMOR AGENTS | SANKYO COMPANY LIMITED (JP) | 1993-06-16 | — | — | EP | disclosed |
| EP-0350315-A1 | Rhizoxin derivates and their use as anti-tumor agents | SANKYO COMPANY LIMITED (JP) | 1990-01-10 | — | — | EP | disclosed |