⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2653451 | 0.70 | — | — | |
| SCHEMBL14141943 | 0.69 | — | — | |
| SCHEMBL2647197 | 0.69 | — | — | |
| SCHEMBL6473572 | 0.68 | IDO1 (0.30) | — | |
| SCHEMBL2647129 | 0.67 | FNTA (0.31) | — | |
| SCHEMBL15158962 | 0.66 | — | — | |
| SCHEMBL2647275 | 0.66 | — | — | |
| SCHEMBL4536609 | 0.65 | — | — | |
| SCHEMBL2766931 | 0.64 | — | — | |
| SCHEMBL31728583 | 0.64 | — | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1150983-A1 | TRIAZOLO-PYRIDAZINE DERIVATIVES AS LIGANDS FOR GABA RECEPTORS | MERCK SHARP & DOHME LTD. (GB) | 2001-11-07 | — | — | EP | disclosed |
| WO-2000047582-A1 | TRIAZOLO-PYRIDAZINE DERIVATIVES AS LIGANDS FOR GABA RECEPTORS | MERCK SHARP & DOHME LIMITED (GB) | 2000-08-17 | — | — | WO | disclosed |