⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8260612 | 0.86 | TGFBR1 (0.31) | — | |
| SCHEMBL4908694 | 0.85 | BRD4 (0.30) | — | |
| SCHEMBL4912113 | 0.82 | — | — | |
| SCHEMBL5780711 | 0.82 | KCNH2 (0.31) | — | |
| SCHEMBL5780239 | 0.81 | PDE10A (0.33) | — | |
| SCHEMBL4769901 | 0.79 | KCNH2 (0.34) | — | |
| SCHEMBL5780668 | 0.79 | CYP2A6 (0.38) | — | |
| SCHEMBL5780338 | 0.78 | MAPK14 (0.30) | — | |
| SCHEMBL5779142 | 0.78 | NPC1 (0.32) | — | |
| SCHEMBL5262375 | 0.77 | ADORA2A (0.33) | — |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20080132510-A1 | Imidazolylmethyl and Pyrazolylmethyl Heteroaryl Derivatives | NEUROGEN CORPORATION | 2008-06-05 | — | — | US | disclosed |
| US-20080132510-A1 | Imidazolylmethyl and Pyrazolylmethyl Heteroaryl Derivatives | NEUROGEN CORPORATION | 2008-06-05 | — | — | US | disclosed |
| EP-1838152-A2 | IMIDAZOLYLMETHYL AND PYRAZOLYLMETHYL HETEROARYL DERIVATIVES | NEUROGEN CORPORATION (US) | 2007-10-03 | — | — | EP | disclosed |
| WO-2006078891-A2 | IMIDAZOLYLMETHYL AND PYRAZOLYLMETHYL HETEROARYL DERIVATIVES | NEUROGEN CORPORATION (US) | 2006-07-27 | — | — | WO | disclosed |
| WO-2006078891-A2 | IMIDAZOLYLMETHYL AND PYRAZOLYLMETHYL HETEROARYL DERIVATIVES | NEUROGEN CORPORATION (US) | 2006-07-27 | — | — | WO | disclosed |