⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL10515983 | 0.88 | ATM (0.40) | — | |
| SCHEMBL2643801 | 0.78 | — | — | |
| SCHEMBL1305438 | 0.72 | — | — | |
| SCHEMBL9129982 | 0.72 | — | — | |
| SCHEMBL1680599 | 0.71 | — | — | |
| SCHEMBL270498 | 0.71 | — | — | |
| SCHEMBL1680526 | 0.71 | — | — | |
| SCHEMBL10363224 | 0.71 | — | — | |
| SCHEMBL1647676 | 0.71 | — | — | |
| SCHEMBL9837341 | 0.71 | — | — |
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 71 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-1589625-A | Process for preparing biocide formulations | ROHM & HAAS (US) | 2005-03-09 | — | — | CN | claimed |
| CN-1107289-A | Fully water-dilutable microemulsions | ROHM & HAAS (US) | 1995-08-30 | — | — | CN | claimed |
| EP-0234683-B1 | ALPHA-(2-ALKOXYPHENYL)-ALPHA-ALKYL-1H-1,2,4-TRIAZOLE-1-PROPANENITRILES AND DERIVATIVES | ROHM AND HAAS COMPANY (US) | 1991-04-17 | — | — | EP | claimed |
| EP-1121361-B1 | PYRAZOLO-TRIAZINE DERIVATIVES AS LIGANDS FOR GABA RECEPTORS | MERCK SHARP & DOHME (GB) | 2007-08-29 | — | — | EP | disclosed |
| US-6872720-B2 | Pyrazolo-triazine derivatives as ligands for gaba receptors | MERCK SHARP & DOHME LTD. | 2005-03-29 | — | — | US | disclosed |
| US-6730676-B2 | CENTRAL NERVOUS SYSTEM DISORDERS; COGNITION ACTIVATORS | MERCK SHARP & DOHME LTD. | 2004-05-04 | — | — | US | disclosed |
| US-6730681-B2 | ANXIOLYTIC AGENTS AND ANTICONVULSANTS | MERCK SHARP & DOHME LTD. | 2004-05-04 | — | — | US | disclosed |
| US-6699859-B1 | TREATMENT OF ANXIETY AND CONVULSIONS. | MERCK SHARP & DOHME LTD. (GB) | 2004-03-02 | — | — | US | disclosed |
| EP-1212324-B1 | IMIDAZO-TRIAZINE DERIVATIVES AS LIGANDS FOR GABA RECEPTORS | MERCK SHARP & DOHME (GB) | 2003-10-29 | — | — | EP | disclosed |
| EP-1049697-B1 | TRIAZOLO-PYRIDAZINE DERIVATIVES AS LIGANDS FOR GABA RECEPTORS | MERCK SHARP & DOHME (GB) | 2003-09-17 | — | — | EP | disclosed |
| US-6608062-B1 | Ligands for gamma-aminobutyric acid receptors; treatment and/or prevention of central nervous system disorders, including anxiety | MERCK SHARP & DOHME LTD. | 2003-08-19 | — | — | US | disclosed |
| EP-0915875-A2 | SUBSTITUTED TRIAZOLO-PYRIDAZINE DERIVATIVES AS LIGANDS FOR GABA RECEPTORS | MERCK SHARP & DOHME LTD. (GB) | 1999-05-19 | — | — | EP | disclosed |
| CN-1042027-C | Fungicidal 1,2,4-triazoles | ROHM & HAAS (US) | 1999-02-10 | — | — | CN | disclosed |
| CN-1037602-C | N-acetophenone formamide and application as bactericide agent of same | ROHM & HAAS (US) | 1998-03-04 | — | — | CN | disclosed |
| WO-1998004559-A2 | SUBSTITUTED TRIAZOLO-PYRIDAZINE DERIVATIVES AS LIGANDS FOR GABA RECEPTORS | MERCK SHARP & DOHME LIMITED (GB) | 1998-02-05 | — | — | WO | disclosed |
| CN-1035875-C | Fungicidal (2-aryl-2-substituted) ethyl-1,2,4-triazoles | ROHM & HAAS (US) | 1997-09-17 | — | — | CN | disclosed |
| CN-1117961-A | N-acetophenone formamide and application as bactericide agent of same | ROHM & HAAS (US) | 1996-03-06 | — | — | CN | disclosed |
| CN-1030911-C | Dibenzoylalkylcyanohydrazines | ROHM & HAAS (US) | 1996-02-07 | — | — | CN | disclosed |
| CN-1082032-A | Mycocidal (ethyl 1,2 that 2-aryl-2-replaces, 4-triazole | ROHM & HAAS (US) | 1994-02-16 | — | — | CN | disclosed |
| CN-1057452-A | Dibenzoyl alkyl-alkyl cyanides | ROHM & HAAS (US) | 1992-01-01 | — | — | CN | disclosed |