⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL213131 | 0.67 | MAPT (0.38) | — | |
| SCHEMBL3618802 | 0.65 | — | — | |
| SCHEMBL4957 | 0.62 | — | — | |
| SCHEMBL5080954 | 0.62 | — | — | |
| SCHEMBL1418135 | 0.62 | — | — | |
| SCHEMBL6569259 | 0.62 | — | — | |
| SCHEMBL17533005 | 0.62 | — | — | |
| SCHEMBL4956 | 0.62 | — | — | |
| SCHEMBL28822444 | 0.62 | — | — | |
| SCHEMBL3065946 | 0.62 | — | — |
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 10 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2017048950-A1 | HEPATITIS B CORE PROTEIN MODULATORS | ASSEMBLY BIOSCIENCES, INC. (US) | 2017-03-23 | — | — | WO | disclosed |
| EP-2578591-A1 | NOVEL BENZOXAZINE OXAZOLIDINONE COMPOUNDS, PREPARATION METHODS AND USES THEREOF | Shanghai Institute Materia Medica, Chinese Academy Of Sciences (CN) | 2013-04-10 | — | — | EP | disclosed |
| CN-100545160-C | Diamine derivative | DAIICHI SEIYAKU CO (JP) | 2009-09-30 | — | — | CN | disclosed |
| CN-101163700-A | Triamine derivative | DAIICHI SEIYAKU CO (JP) | 2008-04-16 | — | — | CN | disclosed |
| CN-1894238-A | Diamine derivatives | DAIICHI SEIYAKU CO (JP) | 2007-01-10 | — | — | CN | disclosed |
| CN-1293057-C | Ethylenediamine derivatives | DAIICHI SEIYAKU CO (JP) | 2007-01-03 | — | — | CN | disclosed |
| CN-1826333-A | Diamine derivatives | DAIICHI SEIYAKU CO (JP) | 2006-08-30 | — | — | CN | disclosed |
| CN-1751025-A | Diamine derivatives | DAIICHI SEIYAKU CO (JP) | 2006-03-22 | — | — | CN | disclosed |
| CN-1745071-A | Novel ethylenediamine derivative | DAIICHI SEIYAKU CO (JP) | 2006-03-08 | — | — | CN | disclosed |
| CN-1438993-A | Ethylenediamine derivatives | DAIICHI SEIYAKU CO (JP) | 2003-08-27 | — | — | CN | disclosed |