⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1227242 | 1.00 | — | — | |
| SCHEMBL12405146 | 1.00 | — | — | |
| Hydrochloric Acid SCHEMBL1226098 | 0.98 | — | — | |
| Hydrochloric Acid SCHEMBL1227799 | 0.98 | — | — | |
| Hydrochloric Acid SCHEMBL1226096 | 0.98 | — | — | |
| SCHEMBL12124472 | 0.81 | — | — | |
| SCHEMBL1012089 | 0.77 | — | — | |
| SCHEMBL23268287 | 0.75 | NEK2 (0.38) | — | |
| SCHEMBL1445616 | 0.74 | CRBN (0.31) | — | |
| SCHEMBL12274168 | 0.74 | OTUD7B (0.41) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-2462126-B1 | METHOD FOR STEREOSELECTIVE SYNTHESIS OF BICYCLIC HETEROCYCLES | BOEHRINGER INGELHEIM INT (DE) | 2015-07-15 | — | — | EP | disclosed |
| US-8993753-B2 | Stereoselective synthesis of bicyclic heterocycles | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2015-03-31 | — | — | US | disclosed |
| US-8993753-B2 | Stereoselective synthesis of bicyclic heterocycles | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2015-03-31 | — | — | US | disclosed |
| US-20140135495-A1 | STEREOSELECTIVE SYNTHESIS OF BICYCLIC HETEROCYCLES | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2014-05-15 | — | — | US | disclosed |
| US-20140135495-A1 | STEREOSELECTIVE SYNTHESIS OF BICYCLIC HETEROCYCLES | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2014-05-15 | — | — | US | disclosed |
| US-8658790-B2 | Stereoselective synthesis of bicyclic heterocycles | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2014-02-25 | — | — | US | disclosed |
| US-8658790-B2 | Stereoselective synthesis of bicyclic heterocycles | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2014-02-25 | — | — | US | disclosed |
| US-20110183987-A1 | Stereoselective Synthesis of Bicyclic Heterocycles | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2011-07-28 | — | — | US | disclosed |
| US-20110183987-A1 | Stereoselective Synthesis of Bicyclic Heterocycles | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2011-07-28 | — | — | US | disclosed |