⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4764080 | 0.88 | BMPR1B (0.31) | — | |
| SCHEMBL4770139 | 0.86 | — | — | |
| SCHEMBL4762367 | 0.84 | QPCT (0.30) | — | |
| SCHEMBL4766370 | 0.83 | ALDH1A1 (0.31) | — | |
| SCHEMBL4762707 | 0.82 | — | — | |
| SCHEMBL4767441 | 0.82 | TGFBR1 (0.37) | — | |
| SCHEMBL4764071 | 0.82 | MEN1 (0.30) | — | |
| SCHEMBL4770099 | 0.81 | HPGD (0.33) | — | |
| SCHEMBL4767696 | 0.81 | PDE10A (0.34) | — | |
| SCHEMBL4769211 | 0.80 | CTSS (0.34) | — |
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 17 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1880998-A1 | IMIDAZO-PYRIMIDINES AND TRIAZOLO-PYRIMIDINES: BENZODIAZEPINE RECEPTOR LIGANDS | NEUROGEN CORPORATION (US) | 2008-01-23 | — | — | EP | claimed |
| US-7271170-B2 | Imidazo-pyrimidines and triazolo-pyrimidines: benzodiazepine receptor ligands | NEUROGEN CORPORATION (US) | 2007-09-18 | — | — | US | claimed |
| JP-2007500130-A | — | — | 2007-01-11 | — | — | JP | claimed |
| EP-1648899-B1 | IMIDAZO-PYRIMIDINES AND TRIAZOLO-PYRIMIDINES: BENZODIAZEPINE RECEPTOR LIGANDS | NEUROGEN CORP (US) | 2007-01-03 | — | — | EP | claimed |
| EP-1648899-A2 | IMIDAZO-PYRIMIDINES AND TRIAZOLO-PYRIMIDINES: BENZODIAZEPINE RECEPTOR LIGANDS | NEUROGEN CORPORATION (US) | 2006-04-26 | — | — | EP | claimed |
| US-20050038043-A1 | Imidazo-pyrimidines and triazolo-pyrimidines: benzodiazepine receptor ligands | NEUROGEN CORPORATION, A CORPORATION OF THE STATE OF DELAWARE (US) | 2005-02-17 | — | — | US | claimed |
| WO-2005012306-A2 | IMIDAZO-PYRIMIDINES AND TRIAZOLO-PYRIMIDINES: BENZODIAZEPINE RECEPTOR LIGANDS | NEUROGEN CORPORATION (US) | 2005-02-10 | — | — | WO | claimed |
| 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 |
| 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 |
| 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 |
| US-20050038043-A1 | Imidazo-pyrimidines and triazolo-pyrimidines: benzodiazepine receptor ligands | NEUROGEN CORPORATION, A CORPORATION OF THE STATE OF DELAWARE (US) | 2005-02-17 | — | — | US | disclosed |
| WO-2005012306-A2 | IMIDAZO-PYRIMIDINES AND TRIAZOLO-PYRIMIDINES: BENZODIAZEPINE RECEPTOR LIGANDS | NEUROGEN CORPORATION (US) | 2005-02-10 | — | — | WO | disclosed |