⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4400269 | 0.73 | — | — | |
| SCHEMBL6242636 | 0.73 | — | — | |
| SCHEMBL6580989 | 0.71 | — | — | |
| SCHEMBL6358981 | 0.71 | — | — | |
| SCHEMBL5454723 | 0.71 | — | — | |
| SCHEMBL7282901 | 0.71 | — | — | |
| SCHEMBL5476601 | 0.71 | — | — | |
| SCHEMBL7445251 | 0.71 | — | — | |
| SCHEMBL31216270 | 0.71 | — | — | |
| SCHEMBL677966 | 0.69 | — | — |
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 14 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-1073603-A | The Anetic kinin antagon that is used for the treatment of acute pancreatitis | HOECHST AG (DE) | 1993-06-30 | — | — | CN | claimed |
| 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 |
| US-20030022105-A1 | TWO -PHOTON UPCONVERTING DYES AND APPLICATIONS | PRASAD PARAS N (US) | 2003-01-30 | — | — | US | disclosed |
| WO-2002081474-A1 | TRIAZOLOPHTHALAZINE / QUINOLINE / ISOQUINOLINE DERIVATIVES WHICH ARE LIGANDS FOR GABA-A RECEPTORS CONTAINING THE ALPHA 5 SUBTYPE | MERCK SHARP & DOHME LIMITED (GB) | 2002-10-17 | — | — | 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-6402037-B1 | Two-photon upconverting dyes and applications | THE RESEARCH FOUNDATION OF STATE UNIVERSITY OF NEW YORK | 2002-06-11 | — | — | US | 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 |
| US-5912257-A | COMPRISING A MATRIX AND STYRYL DYES AND CPOPOSITIONS SHOWING SUPERIOR TWO PHOTON ABSORPTION CROSS-SECTIONS; LASER COMPRISING SOUCE CAPABLE OF PRODUCING INFRARED RADIATION; MULTIPHASE MULTISTRUCTURAL COMPOSITES | THE RESEARCH FOUNDATION OF STATE UNIVERSITY OF NEW YORK (US) | 1999-06-15 | — | — | US | 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 |
| EP-0862432-A1 | TWO-PHOTON UPCONVERTING DYES AND APPLICATIONS | THE RESEARCH FOUNDATION OF STATE UNIVERSITY OF NEW YORK (US) | 1998-09-09 | — | — | EP | disclosed |
| WO-1997009043-A9 | TWO-PHOTON UPCONVERTING DYES AND APPLICATIONS | — | 1997-09-18 | — | — | WO | disclosed |
| WO-1997009043-A1 | TWO-PHOTON UPCONVERTING DYES AND APPLICATIONS | THE RESEARCH FOUNDATION OF STATE UNIVERSITY OF NEW YORK (US) | 1997-03-13 | — | — | WO | disclosed |