⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL10274589 | 0.82 | — | — | |
| Bromide SCHEMBL6855980 | 0.80 | CHRM2 (0.38) | — | |
| Bromide SCHEMBL6856629 | 0.77 | CHRM2 (0.36) | — | |
| SCHEMBL14788082 | 0.74 | — | — | |
| SCHEMBL17239496 | 0.74 | P2RX7 (0.38) | — | |
| Bromide SCHEMBL6858666 | 0.74 | CHRM2 (0.34) | — | |
| SCHEMBL4221111 | 0.73 | — | — | |
| SCHEMBL13867879 | 0.70 | — | — | |
| SCHEMBL24824800 | 0.70 | CHRM2 (0.37) | — | |
| SCHEMBL23153984 | 0.68 | — | — |
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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20090042726-A1 | Novel Herbicides | SYNGENTA LIMITED (GB) | 2009-02-12 | — | — | US | disclosed |
| EP-1965644-A1 | NOVEL HERBICIDES | Syngenta Limited (GB) | 2008-09-10 | — | — | EP | disclosed |
| WO-2007071900-A1 | NOVEL HERBICIDES | SYNGENTA LIMITED (GB) | 2007-06-28 | — | — | WO | disclosed |
| EP-0986562-B1 | SUBSTITUTED 1,2,4-TRIAZOLO 3,4-A]PHTHALAZINE DERIVATIVES AS GABA ALPHA 5 LIGANDS | MERCK SHARP & DOHME (GB) | 2002-08-07 | — | — | EP | disclosed |
| US-6310203-B1 | Precursor compounds to substituted 1,2,4-triazolo[3,4,-a]phathalazine GABA alpha 5 ligands | MERCK SHARPE & DOHME LIMITED (GB) | 2001-10-30 | — | — | US | disclosed |
| US-6200975-B1 | FOR COGNITION ENHANCEMENT THERAPY | MERCK SHARP & DOHME LIMITED (GB) | 2001-03-13 | — | — | US | disclosed |
| 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 |