⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4767461 | 0.89 | KDM4E (0.30) | — | |
| Adipiplon SCHEMBL4543571 | 0.87 | — | — | |
| SCHEMBL4762687 | 0.87 | — | — | |
| SCHEMBL4762429 | 0.86 | — | — | |
| SCHEMBL4766086 | 0.86 | — | — | |
| SCHEMBL4766356 | 0.86 | — | — | |
| SCHEMBL4768092 | 0.86 | — | — | |
| SCHEMBL4763943 | 0.86 | TGFBR1 (0.30) | — | |
| SCHEMBL4766223 | 0.85 | — | — | |
| SCHEMBL8295722 | 0.82 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-20080139580-A1 | IMIDAZO-PYRIMIDINES AND TRIAZOLO-PYRIMIDINES: BENZODIAZEPINE RECEPTOR LIGANDS | NEUROGEN CORPORATION (US) | 2008-06-12 | — | — | US | disclosed |
| US-20080139580-A1 | IMIDAZO-PYRIMIDINES AND TRIAZOLO-PYRIMIDINES: BENZODIAZEPINE RECEPTOR LIGANDS | NEUROGEN CORPORATION (US) | 2008-06-12 | — | — | US | disclosed |
| EP-1880998-A1 | IMIDAZO-PYRIMIDINES AND TRIAZOLO-PYRIMIDINES: BENZODIAZEPINE RECEPTOR LIGANDS | NEUROGEN CORPORATION (US) | 2008-01-23 | — | — | EP | disclosed |
| US-7271170-B2 | Imidazo-pyrimidines and triazolo-pyrimidines: benzodiazepine receptor ligands | NEUROGEN CORPORATION (US) | 2007-09-18 | — | — | US | disclosed |
| US-7271170-B2 | Imidazo-pyrimidines and triazolo-pyrimidines: benzodiazepine receptor ligands | NEUROGEN CORPORATION (US) | 2007-09-18 | — | — | US | disclosed |
| EP-1648899-B1 | IMIDAZO-PYRIMIDINES AND TRIAZOLO-PYRIMIDINES: BENZODIAZEPINE RECEPTOR LIGANDS | NEUROGEN CORP (US) | 2007-01-03 | — | — | EP | disclosed |
| WO-2005012306-A2 | IMIDAZO-PYRIMIDINES AND TRIAZOLO-PYRIMIDINES: BENZODIAZEPINE RECEPTOR LIGANDS | NEUROGEN CORPORATION (US) | 2005-02-10 | — | — | WO | disclosed |