⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL16850660 | 1.00 | — | — | |
| SCHEMBL588229 | 1.00 | — | — | |
| SCHEMBL3746769 | 0.96 | ALDH1A1 (0.42) | — | |
| SCHEMBL3746774 | 0.96 | ALDH1A1 (0.42) | — | |
| SCHEMBL22119755 | 0.83 | ALDH1A1 (0.33) | — | |
| SCHEMBL22119050 | 0.83 | ALDH1A1 (0.33) | — | |
| SCHEMBL8618064 | 0.81 | — | — | |
| SCHEMBL711247 | 0.78 | — | — | |
| SCHEMBL21766164 | 0.78 | — | — | |
| SCHEMBL2305227 | 0.78 | — | — |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2015073314-A1 | AMINE SALTS OF A PROSTACYCLIN ANALOG | CAYMAN CHEMICAL COMPANY INCORPORATED (US) | 2015-05-21 | — | — | WO | disclosed |
| WO-2014089385-A2 | METHODS OF SYNTHESIZING A PROSTACYCLIN ANALOG | CAYMAN CHEMICAL COMPANY INCORPORATED (US) | 2014-06-12 | — | — | WO | disclosed |
| WO-2011034832-A1 | SUBSTITUTED PHENOXYMETHYL DIHYDRO OXAZOLOPYRIMIDINONES, PREPARATION AND USE THEREOF | SANOFI-AVENTIS (FR) | 2011-03-24 | — | — | WO | disclosed |
| WO-2011034828-A1 | SUBSTITUTED PARA-BIPHENYLOXYMETHYL DIHYDRO OXAZOLOPYRIMIDINONES, PREPARATION AND USE THEREOF | SANOFI-AVENTIS (FR) | 2011-03-24 | — | — | WO | disclosed |
| US-20100075994-A1 | SUBSTITUTED DIHYDRO AND TETRAHYDRO OXAZOLOPYRIMIDINONES, PREPARATION AND USE THEREOF | SANOFI-AVENTIS (FR) | 2010-03-25 | — | — | US | disclosed |
| WO-2008112483-A2 | SUBSTITUTED DIHYDRO AND TETRAHYDRO OXAZOLOPYRIMIDINONES, PREPARATION AND USE THEREOF | SANOFI-AVENTIS (FR) | 2008-09-18 | — | — | WO | disclosed |
| US-20080194696-A1 | Novel Arylbicyclo[3.1.0]Hexylamines And Methods And Compositions For Their Preparation And Use | ETHISMOS RESEARCH, INC. | 2008-08-14 | — | — | US | disclosed |