⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6473572 | 0.75 | IDO1 (0.30) | — | |
| SCHEMBL5870976 | 0.71 | DGAT1 (0.31) | — | |
| SCHEMBL5924424 | 0.71 | — | — | |
| SCHEMBL2766931 | 0.71 | — | — | |
| SCHEMBL2647062 | 0.70 | — | — | |
| SCHEMBL8543182 | 0.69 | SIRT2 (0.32) | — | |
| SCHEMBL3747432 | 0.69 | — | — | |
| SCHEMBL17602391 | 0.68 | ALDH1A1 (0.32) | — | |
| SCHEMBL28575652 | 0.68 | SLC6A3 (0.39) | — | |
| SCHEMBL2647129 | 0.67 | FNTA (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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0915875-B1 | SUBSTITUTED TRIAZOLO-PYRIDAZINE DERIVATIVES AS LIGANDS FOR GABA RECEPTORS | MERCK SHARP & DOHME (GB) | 2003-04-09 | — | — | EP | disclosed |
| US-6255305-B1 | PSYCHOLOGICAL DISORDERS | MERCK SHARP & DOHME LIMITED (GB) | 2001-07-03 | — | — | US | disclosed |
| EP-0915875-A2 | SUBSTITUTED TRIAZOLO-PYRIDAZINE DERIVATIVES AS LIGANDS FOR GABA RECEPTORS | MERCK SHARP & DOHME LTD. (GB) | 1999-05-19 | — | — | EP | disclosed |
| WO-1998004559-A2 | SUBSTITUTED TRIAZOLO-PYRIDAZINE DERIVATIVES AS LIGANDS FOR GABA RECEPTORS | MERCK SHARP & DOHME LIMITED (GB) | 1998-02-05 | — | — | WO | disclosed |