⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5119916 | 0.93 | — | — | |
| SCHEMBL14289590 | 0.93 | IRAK4 (0.30) | — | |
| SCHEMBL5113617 | 0.92 | — | — | |
| SCHEMBL5119998 | 0.90 | MAPT (0.31) | — | |
| SCHEMBL5114225 | 0.89 | — | — | |
| SCHEMBL5118994 | 0.89 | ALDH1A1 (0.31) | — | |
| SCHEMBL5119053 | 0.87 | — | — | |
| SCHEMBL5111415 | 0.85 | — | — | |
| SCHEMBL5121033 | 0.81 | ALDH1A1 (0.32) | — | |
| SCHEMBL5110280 | 0.80 | — | — |
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 1 patent. 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 |