⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL11861246 | 0.74 | — | — | |
| SCHEMBL434840 | 0.72 | MEN1 (0.30) | — | |
| Hydrochloric Acid SCHEMBL28407312 | 0.70 | — | — | |
| SCHEMBL22327157 | 0.69 | — | — | |
| SCHEMBL11784790 | 0.69 | MAPK1 (0.38) | — | |
| SCHEMBL22219765 | 0.69 | — | — | |
| Hydrochloric Acid SCHEMBL27848518 | 0.67 | — | — | |
| Hydrochloric Acid SCHEMBL9438196 | 0.67 | — | — | |
| SCHEMBL22327233 | 0.65 | — | — | |
| SCHEMBL3661818 | 0.65 | — | — |
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 9 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-9340539-B2 | Hepatitis C inhibitor compounds | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2016-05-17 | — | — | US | disclosed |
| US-20140343077-A1 | HEPATITIS C INHIBITOR COMPOUNDS | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2014-11-20 | — | — | US | disclosed |
| EP-2748160-A1 | HEPATITIS C INHIBITOR COMPOUNDS | Boehringer Ingelheim International GmbH (DE) | 2014-07-02 | — | — | EP | disclosed |
| WO-2013026163-A1 | HEPATITIS C INHIBITOR COMPOUNDS | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2013-02-28 | — | — | WO | disclosed |
| US-5071851-A | FUNGICIDAL CYCLOHEXYLAMINES | BASF AKTIENGESELLSCHAFT (DE) | 1991-12-10 | — | — | US | disclosed |
| EP-0271750-B1 | FUNGICIDAL CYCLOHEXYL AMINES | BASF Aktiengesellschaft (DE) | 1990-10-31 | — | — | EP | disclosed |
| EP-0271750-A1 | Fungicidal cyclohexyl amines | BASF Aktiengesellschaft (DE) | 1988-06-22 | — | — | EP | disclosed |
| EP-0113101-A1 | 6-(1-Hydroxyethyl)-2-SR8-1-methyl-1-carbadethiapen-2-em-3-carboxylic acid esters | MERCK & CO. INC. (US) | 1984-07-11 | — | — | EP | disclosed |
| US-3985874-A | INSECTICIDE, ACARICIDE, NEMATOCIDE | BAYER AKTIENGESELLSCHAFT (DT) | 1976-10-12 | — | — | US | disclosed |