⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7771015 | 0.83 | — | — | |
| SCHEMBL11317755 | 0.83 | — | — | |
| SCHEMBL27956808 | 0.81 | RAB9A (0.38) | — | |
| SCHEMBL26110860 | 0.77 | RAB9A (0.36) | — | |
| SCHEMBL26108937 | 0.76 | L3MBTL1 (0.35) | — | |
| SCHEMBL682488 | 0.71 | MAPT (0.41) | — | |
| SCHEMBL21934980 | 0.71 | ADORA2A (0.37) | — | |
| SCHEMBL26111489 | 0.71 | SMN1; SMN2 (0.34) | — | |
| SCHEMBL21737413 | 0.67 | — | — | |
| SCHEMBL22409950 | 0.67 | — | — |
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-0986562-A1 | SUBSTITUTED 1,2,4-TRIAZOLO 3,4-A]PHTHALAZINE DERIVATIVES AS GABA ALPHA 5 LIGANDS | MERCK SHARP & DOHME LTD. (GB) | 2000-03-22 | — | — | EP | disclosed |
| WO-1998050385-A1 | SUBSTITUTED 1,2,4-TRIAZOLO[3,4-a]PHTHALAZINE DERIVATIVES AS GABA ALPHA 5 LIGANDS | MERCK SHARP & DOHME LIMITED (GB) | 1998-11-12 | — | — | WO | disclosed |