⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL791723 | 0.69 | ALDH1A1 (0.35) | — | |
| SCHEMBL28585 | 0.62 | KIF11 (0.33) | — | |
| SCHEMBL789742 | 0.62 | — | — | |
| SCHEMBL133335 | 0.62 | ALDH1A1 (0.35) | — | |
| SCHEMBL403256 | 0.60 | ALDH1A1 (0.32) | — | |
| SCHEMBL5142181 | 0.60 | KMT2A (0.33) | — | |
| SCHEMBL2120862 | 0.60 | ALDH1A1 (0.32) | — | |
| SCHEMBL6654574 | 0.60 | KMT2A (0.33) | — | |
| SCHEMBL1028860 | 0.60 | TSHR (0.38) | — | |
| SCHEMBL20554214 | 0.59 | ALDH1A1 (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 11 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6900209-B2 | Nitrogen substituted 1,2,4-triazolo[3,4-a]phthalazine derivatives for enhancing cognition | MERCK SHARP & DOHME LTD. | 2005-05-31 | — | — | US | disclosed |
| US-20040043982-A1 | Nitrogen substituted 1,2,4-triazolo[3,4-a]phthalazine derivatives for enhancing cognition | MERCK SHARP & DOHME LTD. (GB) | 2004-03-04 | — | — | US | disclosed |
| US-6613766-B1 | Compounds such as 3-(5-methylisoxazol-3-yl)-5-(2-pyridyl-methyloxy)-1,2,3a,4,6 -pentaazacyclopenta(a)naphthalene, having high receptivity for the inhibitory neurotransmitter, gamma-aminobutyric acid (GABA); learning enhancement | MERCK SHARP & DOHME LTD. | 2003-09-02 | — | — | US | 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 |
| WO-2002042305-A1 | NITROGEN SUBSTITUTED 1,2,4-TRIAZOLO[3,4-A]PHTHALAZINE DERIVATIVES FOR ENHANCING COGNITION | MERCK SHARP & DOHME LIMITED (GB) | 2002-05-30 | — | — | WO | 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 |
| EP-1129090-A1 | PENTAAZA-CYCLOPENTA A]NAPHTHALENE DERIVATIVES AS LIGANDS FOR GABA A? $g(a)5 RECEPTORS | MERCK SHARP & DOHME LTD. (GB) | 2001-09-05 | — | — | EP | disclosed |
| US-6200975-B1 | FOR COGNITION ENHANCEMENT THERAPY | MERCK SHARP & DOHME LIMITED (GB) | 2001-03-13 | — | — | US | disclosed |
| WO-2000029412-A1 | PENTAAZA-CYCLOPENTA[A]NAPHTHALENE DERIVATIVES AS LIGANDS FOR GABAA α5 RECEPTORS | MERCK SHARP & DOHME LIMITED (GB) | 2000-05-25 | — | — | WO | 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 |