⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL28155752 | 0.84 | — | — | |
| SCHEMBL25227054 | 0.84 | — | — | |
| SCHEMBL12881245 | 0.84 | KDM4E (0.31) | — | |
| SCHEMBL25392308 | 0.84 | — | — | |
| SCHEMBL15026757 | 0.81 | FBP1 (0.37) | — | |
| SCHEMBL12327215 | 0.81 | FBP1 (0.40) | — | |
| SCHEMBL1109035 | 0.75 | — | — | |
| SCHEMBL23921712 | 0.75 | CYP2C19 (0.35) | — | |
| SCHEMBL14311731 | 0.73 | — | — | |
| SCHEMBL27276358 | 0.73 | — | — |
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 31 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-10399957-B2 | TLR7/8 antagonists and uses thereof | MERCK PATENT GMBH (DE) | 2019-09-03 | — | — | US | disclosed |
| US-10000438-B2 | Small molecule inhibitors of TRPA1 | B.R.A.I.N. BIOTECHNOLOGY RESEARCH AND INFORMATION NETWORK AG (DE) | 2018-06-19 | — | — | US | disclosed |
| US-20180105482-A9 | SMALL MOLECULE INHIBITORS OF TRPA1 | B.R.A.I.N. BIOTECHNOLOGY RESEARCH AND INFORMATION NETWORK AG (DE) | 2018-04-19 | — | — | US | disclosed |
| US-20170174653-A1 | TLR7/8 ANTAGONISTS AND USES THEREOF | MERCK PATENT GMBH (DE) | 2017-06-22 | — | — | US | disclosed |
| US-9598411-B2 | Substituted benzimidazole-type piperidine compounds and uses thereof | PURDUE PHARMA L.P. (US) | 2017-03-21 | — | — | US | disclosed |
| EP-2746285-A1 | Process for the preparation of aurora kinase inhibitors | MILLENNIUM PHARMACEUTICALS, INC. (US) | 2014-06-25 | — | — | EP | disclosed |
| US-8399479-B2 | Modulators of cystic fibrosis transmembrane conductance regulator | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2013-03-19 | — | — | US | disclosed |
| US-20130018070-A1 | MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2013-01-17 | — | — | US | disclosed |
| US-20130011923-A1 | MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2013-01-10 | — | — | US | disclosed |
| US-8242149-B2 | Modulators of ATP-binding cassette transporters | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2012-08-14 | — | — | US | disclosed |
| US-20100168158-A1 | MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2010-07-01 | — | — | US | disclosed |
| US-20100113460-A1 | Organic Compounds | GIVAUDAN SA (CH) | 2010-05-06 | — | — | US | disclosed |
| US-20100113555-A1 | Modulators of ATP-Binding Cassette Transporters | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2010-05-06 | — | — | US | disclosed |
| WO-2008136815-A2 | 5, 6-RING ANNULATED INDOLE DERIVATIVES AND USE THEREOF | SCHERING CORPORATION (US) | 2008-11-13 | — | — | WO | disclosed |
| US-20070264196-A1 | Modulators of ATP-binding cassette transporters | VERTEX PHARMACEUTICALS INCORPORATED | 2007-11-15 | — | — | US | disclosed |
| US-20070244159-A1 | including Cystic Fibrosis Transmembrane Conductance Regulator (\"CFTR\"), such as 1-(Benzo[d][1,3]dioxol-5-yl)-N-(2-(1-hydroxy-2-methylpropan-2-yl)-1H-indol-5-yl)cyclopropanecarboxamide, used for the treatment of genetic disorders such as cystic fibrosis, emphysema, hemochromatosis and protein C deficiency | VERTEX PHARMACEUTICALS INCORPORATED | 2007-10-18 | — | — | US | disclosed |
| EP-0050558-B1 | PHOTOGRAPHIC EMULSIONS AND ELEMENTS CAPABLE OF FORMING DIRECT-POSITIVE IMAGES | EASTMAN KODAK COMPANY (a New Jersey corporation) (US) | 1985-07-17 | — | — | EP | disclosed |
| US-4362800-A | CYANINE DYES | FUJI PHOTO FILM CO., LTD. (JP) | 1982-12-07 | — | — | US | disclosed |
| EP-0050558-A2 | Photographic emulsions and elements capable of forming direct-positive images | EASTMAN KODAK COMPANY (a New Jersey corporation) (US) | 1982-04-28 | — | — | EP | disclosed |
| US-4306016-A | HETEROCYCLIC CYANINE DYE-LIKE NUCLEATING AGENTS | EASTMAN KODAK COMPANY (US) | 1981-12-15 | — | — | US | disclosed |