⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9344519 | 0.86 | — | — | |
| SCHEMBL8574940 | 0.84 | MAPT (0.36) | — | |
| SCHEMBL11591054 | 0.82 | MAPT (0.39) | — | |
| SCHEMBL28617835 | 0.82 | — | — | |
| SCHEMBL1985836 | 0.81 | — | — | |
| SCHEMBL28617838 | 0.79 | — | — | |
| SCHEMBL11039419 | 0.78 | ALDH1A1 (0.30) | — | |
| SCHEMBL28611757 | 0.75 | — | — | |
| SCHEMBL6184126 | 0.74 | CYP3A4 (0.33) | — | |
| SCHEMBL34776 | 0.74 | CHRM1 (0.31) | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-108997504-B | Preparation method of ionic liquid functionalized cellulose carbamate material | 贵州大学 | 2021-05-07 | — | — | CN | claimed |
| CN-108997504-B | Preparation method of ionic liquid functionalized cellulose carbamate material | 贵州大学 | 2021-05-07 | — | — | CN | disclosed |
| CN-103980151-A | Novel compounds as antagonists or inverse agonists at opioid receptors | SMITHKLINE BEECHAM CORP | 2014-08-13 | — | — | CN | disclosed |
| CN-101522614-B | Compounds as antagonists or inverse agonists of opioid receptors | SMITHKLINE BEECHAM CORP | 2014-06-25 | — | — | CN | disclosed |
| CN-102516115-A | Novel compounds as antagonists or inverse agonists at opioid receptors | SMITHKLINE BEECHAM CORP | 2012-06-27 | — | — | CN | disclosed |
| CN-101522614-A | Novel compounds as antagonists or inverse agonists of opioid receptors | SMITHKLINE BEECHAM CORP (US) | 2009-09-02 | — | — | CN | disclosed |
| EP-0865283-A4 | 2-DEOXYSTREPTAMINE AS A MOLECULAR SCAFFOLD FOR PREPARING FUNCTIONALLY AND SPACIALLY DIVERSE MOLECULES AND PHARMACEUTICAL COMPOSITIONS THEREOF | ANADYS PHARMACEUTICALS INC (US) | 2005-07-20 | — | — | EP | disclosed |
| EP-1178048-B1 | Azabicycloalkane derivatives for use as serotonin reuptake inhibitors and 5HT2a antagonists | PFIZER PROD INC (US) | 2005-06-15 | — | — | EP | disclosed |
| US-6552015-B2 | Inhibition of serotonin reuptake; especially 2-(azabicycloalkyl)alkylenyl)isoquinolin-3-one compounds | PFIZER INC. | 2003-04-22 | — | — | US | disclosed |
| US-20020052355-A1 | Azabicycloalkane derivatives and therapeutic uses thereof | PFIZER PRODUCTS INC. | 2002-05-02 | — | — | US | disclosed |
| EP-1178048-A1 | Azabicycloalkane derivatives for use as serotonin reuptake inhibitors and 5HT2a antagonists | Pfizer Products Inc. (US) | 2002-02-06 | — | — | EP | disclosed |
| EP-0865283-A1 | 2-DEOXYSTREPTAMINE AS A MOLECULAR SCAFFOLD FOR PREPARING FUNCTIONALLY AND SPACIALLY DIVERSE MOLECULES AND PHARMACEUTICAL COMPOSITIONS THEREOF | Scriptgen Pharmaceuticals Inc. (US) | 1998-09-23 | — | — | EP | disclosed |
| WO-1997009053-A1 | 2-DEOXYSTREPTAMINE AS A MOLECULAR SCAFFOLD FOR PREPARING FUNCTIONALLY AND SPATIALLY DIVERSE MOLECULES AND PHARMACEUTICAL COMPOSITIONS THEREOF | SCRIPTGEN PHARMACEUTICALS, INC. (US) | 1997-03-13 | — | — | WO | disclosed |
| EP-0433806-B1 | Isocyanatoalkylsulfonates and process for their preparation | BAYER AG (DE) | 1994-06-22 | — | — | EP | disclosed |
| US-5110975-A | ISOCYANATOALKYL SULPHONATES AND A PROCESS FOR THEIR PREPARATION | BAYER AKTIENGESELLSCHAFT (DE) | 1992-05-05 | — | — | US | disclosed |
| EP-0433806-A2 | Isocyanatoalkylsulfonates and process for their preparation | BAYER AG (DE) | 1991-06-26 | — | — | EP | disclosed |