⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8519473 | 0.83 | TBXAS1 (0.50) | — | |
| SCHEMBL1261468 | 0.81 | — | — | |
| Imidazoleacetic Acid SCHEMBL360337 | 0.81 | — | — | |
| SCHEMBL480968 | 0.79 | — | — | |
| SCHEMBL11840829 | 0.79 | — | — | |
| SCHEMBL11688111 | 0.79 | — | — | |
| Imidazoleacetic Acid SCHEMBL15007471 | 0.79 | TBXAS1 (0.56) | — | |
| SCHEMBL1259774 | 0.79 | — | — | |
| SCHEMBL2648605 | 0.79 | — | — | |
| Imidazoleacetic Acid SCHEMBL17375738 | 0.79 | TBXAS1 (0.56) | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6333336-B1 | GAMMA-AMINOBUTYRIC ACID RECEPTORS AS ANTICONVULSANTS FORMING THE COMPOUND BY AMIDATION | MERCK SHARP & DOHME LTD. (GB) | 2001-12-25 | — | — | US | disclosed |
| EP-1064283-A1 | PYRAZOLO-PYRIDINE DERIVATIVES AS LIGANDS FOR GABA RECEPTORS | MERCK SHARP & DOHME LTD. (GB) | 2001-01-03 | — | — | EP | disclosed |
| WO-1999048892-A1 | PYRAZOLO-PYRIDINE DERIVATIVES AS LIGANDS FOR GABA RECEPTORS | MERCK SHARP & DOHME LIMITED (GB) | 1999-09-30 | — | — | WO | disclosed |