⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4409262 | 0.86 | POLB (0.41) | — | |
| SCHEMBL18646660 | 0.81 | POLB (0.38) | — | |
| SCHEMBL4413961 | 0.79 | RECQL (0.41) | — | |
| Hydrochloric Acid SCHEMBL15254083 | 0.78 | POLB (0.36) | — | |
| SCHEMBL4414809 | 0.76 | — | — | |
| SCHEMBL4409234 | 0.76 | SMN1; SMN2 (0.40) | — | |
| SCHEMBL4403797 | 0.76 | — | — | |
| SCHEMBL4409297 | 0.76 | — | — | |
| SCHEMBL4403776 | 0.76 | — | — | |
| SCHEMBL4414593 | 0.76 | KMT2A (0.38) | — |
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 15 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20200155540-A1 | 6-(5-MEMBERED HETEROARYL)ISOQUINOLIN-3-YL-(5-MEMBERED HETEROARYL) CARBOXAMIDES AND PREPARATION AND USE THEREOF | VICKERS VENTURE FUND VI PTE. LTD. (SG) | 2020-05-21 | — | — | US | disclosed |
| US-9782407-B2 | Substituted benzylamino quinolines as cholesterol ester-transfer protein inhibitors | DR. REDDY'S LABORATORIES LTD. (IN) | 2017-10-10 | — | — | US | disclosed |
| US-9550779-B2 | Derivatives and methods of treating hepatitis B infections | NOVIRA THERAPEUTICS, INC. (US) | 2017-01-24 | — | — | US | disclosed |
| US-8354403-B2 | Pyrrolidine derived beta 3 adrenergic receptor agonists | MERCK SHARP & DOHME CORP. (US) | 2013-01-15 | — | — | US | disclosed |
| US-20120322761-A1 | HETEROCYCLIC CETP INHIBITORS | BRISTOL-MYERS SQUIBB COMPANY | 2012-12-20 | — | — | US | disclosed |
| US-8053574-B2 | Organic compounds | NOVARTIS AG (CH) | 2011-11-08 | — | — | US | disclosed |
| US-8053574-B2 | Organic compounds | NOVARTIS AG (CH) | 2011-11-08 | — | — | US | disclosed |
| US-20100197682-A1 | Organic Compounds | NOVARTIS AG | 2010-08-05 | — | — | US | disclosed |
| US-20100197682-A1 | Organic Compounds | NOVARTIS AG | 2010-08-05 | — | — | US | disclosed |
| US-20100099681-A1 | SUBSTITUTED 5-AMINOPYRAZOLES AND USE THEREOF | BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) | 2010-04-22 | — | — | US | disclosed |
| EP-1859782-B1 | Composition for coloring and/or lightening human hair comprising tetrazoles | HENKEL AG & CO KGAA (DE) | 2009-12-30 | — | — | EP | disclosed |
| WO-2009010530-A1 | BICYCLIC HETEROARYL COMPOUNDS AND THEIR USE AS KINASE INHIBITORS | NOVARTIS AG (CH) | 2009-01-22 | — | — | WO | disclosed |
| EP-1859782-A1 | Composition for coloring and/or lightening human hair comprising tetrazoles | Henkel Kommanditgesellschaft auf Aktien (DE) | 2007-11-28 | — | — | EP | disclosed |
| US-20070135631-A1 | HETEROCYCLIC CETP INHIBITORS | BRISTOL-MYERS SQUIBB COMPANY | 2007-06-14 | — | — | US | disclosed |
| WO-2007062314-A2 | HETEROCYCLIC CETP INHIBITORS | BRISTOL-MYERS SQUIBB COMPANY (US) | 2007-05-31 | — | — | WO | disclosed |