⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5108595 | 0.92 | KDM4E (0.32) | — | |
| SCHEMBL5112468 | 0.88 | — | — | |
| SCHEMBL5118207 | 0.88 | PKM (0.33) | — | |
| SCHEMBL5119310 | 0.88 | — | — | |
| SCHEMBL5110898 | 0.87 | ALDH1A1 (0.33) | — | |
| SCHEMBL5113715 | 0.87 | — | — | |
| SCHEMBL5114531 | 0.87 | — | — | |
| SCHEMBL5118983 | 0.87 | — | — | |
| SCHEMBL14289577 | 0.87 | — | — | |
| SCHEMBL5118965 | 0.86 | KDM4E (0.31) | — |
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-20080004269-A1 | Pyrazolylmethy Heteroaryl Derivatives | NEUROGEN CORPORATION | 2008-01-03 | — | — | US | disclosed |
| US-20080004269-A1 | Pyrazolylmethy Heteroaryl Derivatives | NEUROGEN CORPORATION | 2008-01-03 | — | — | US | disclosed |
| US-20080004269-A1 | Pyrazolylmethy Heteroaryl Derivatives | NEUROGEN CORPORATION | 2008-01-03 | — | — | US | disclosed |
| EP-1807417-A2 | PYRAZOLYLMETHYL HETEROARYL DERIVATIVES | NEUROGEN CORPORATION (US) | 2007-07-18 | — | — | EP | disclosed |
| WO-2006052546-A2 | PYRAZOLYLMETHYL HETEROARYL DERIVATIVES | NEUROGEN CORPORATION (US) | 2006-05-18 | — | — | WO | disclosed |