⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL406066 | 0.77 | — | — | |
| SCHEMBL6202347 | 0.71 | ALDH1A1 (0.38) | — | |
| SCHEMBL14578733 | 0.71 | ALDH1A1 (0.53) | — | |
| SCHEMBL5657617 | 0.71 | CYP19A1 (0.48) | — | |
| SCHEMBL2656741 | 0.70 | ALDH1A1 (0.38) | — | |
| SCHEMBL8926510 | 0.70 | EGLN3 (0.44) | — | |
| SCHEMBL21233106 | 0.69 | CYP1A2 (0.48) | — | |
| SCHEMBL10505307 | 0.68 | CYP19A1 (0.42) | — | |
| SCHEMBL45842 | 0.68 | — | — | |
| SCHEMBL2488352 | 0.67 | ALDH1A1 (0.49) | — |
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 17 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-12628827-B2 | Isoxazoline compounds and their use as pest control agents | PI INDUSTRIES LIMITED (IN) | 2026-05-19 | — | — | US | disclosed |
| US-20240057604-A1 | ISOXAZOLINE COMPOUNDS AND THEIR USE AS PEST CONTROL AGENTS | PI INDUSTRIES LTD. (IN) | 2024-02-22 | — | — | US | disclosed |
| CN-113179641-B | 6, 7-dihydro-5H-pyrrolo [1,2-B ] [1,2,4] triazol-2-amine derivatives | 豪夫迈·罗氏有限公司 | 2024-01-02 | — | — | CN | disclosed |
| US-11319314-B2 | Phenoxytriazoles | HOFFMANN-LA ROCHE INC. (US) | 2022-05-03 | — | — | US | disclosed |
| EP-3894411-A1 | 7-PHENOXY-N-(3-AZABICYCLO[3.2.1]OCTAN-8-YL)-6,7-DIHYDRO-5H-PYRROLO[1,2-B][1,2,4]TRIAZOL-2-AMINE DERIVATIVES AND RELATED COMPOUNDS AS GAMMA-SECRETASE MODULATORS FOR THE TREATMENT OF ALZHEIMER'S DISEASE | F. Hoffmann-La Roche AG (CH) | 2021-10-20 | — | — | EP | disclosed |
| WO-2020120521-A1 | 7-PHENOXY-N-(3-AZABICYCLO[3.2.1]OCTAN-8-YL)-6,7-DIHYDRO-5H-PYRROLO[1,2-B][1,2,4]TRIAZOL-2-AMINE DERIVATIVES AND RELATED COMPOUNDS AS GAMMA-SECRETASE MODULATORS FOR THE TREATMENT OF ALZHEIMER'S DISEASE | F. HOFFMANN-LA ROCHE AG (CH) | 2020-06-18 | — | — | WO | disclosed |
| EP-2007753-B1 | HETEROCYCLIC GABA ALPHA SUBTYPE SELECTIVE RECEPTOR MODULATORS | HOFFMANN LA ROCHE (CH) | 2009-11-11 | — | — | EP | disclosed |
| CN-101466703-A | Heterocyclic GABA-alpha subtype selective receptor modulators | HOFFMANN LA ROCHE (CH) | 2009-06-24 | — | — | CN | disclosed |
| EP-2007753-A1 | HETEROCYCLIC GABA ALPHA SUBTYPE SELECTIVE RECEPTOR MODULATORS | F. Hoffmann-Roche AG (CH) | 2008-12-31 | — | — | EP | disclosed |
| WO-2007115966-A1 | HETEROCYCLIC GABA ALPHA SUBTYPE SELECTIVE RECEPTOR MODULATORS | F. HOFFMANN-LA ROCHE AG (CH) | 2007-10-18 | — | — | WO | disclosed |
| US-20070238765-A1 | Heterocyclic GABAA subtype selective receptor modulators | ROCHE PALO ALTO LLC | 2007-10-11 | — | — | US | disclosed |
| US-20070238765-A1 | Heterocyclic GABAA subtype selective receptor modulators | ROCHE PALO ALTO LLC | 2007-10-11 | — | — | US | disclosed |
| US-20070238765-A1 | Heterocyclic GABAA subtype selective receptor modulators | ROCHE PALO ALTO LLC | 2007-10-11 | — | — | US | disclosed |
| EP-0816363-B1 | 1,2,3-Benzothiadiazole derivatives and their use as microbicides | BAYER AGROCHEM KK (JP) | 2001-10-17 | — | — | EP | disclosed |
| US-6153763-A | A MICROBICIDES COMPRISING AN IMIDAZOLE RING | NIHON BAYER AGROCHEM K.K. | 2000-11-28 | — | — | US | disclosed |
| US-5869508-A | MICROBIOCIDES | NIHON BAYER AGROCHEM K.K. (JP) | 1999-02-09 | — | — | US | disclosed |
| EP-0816363-A1 | 1,2,3-Benzothiadiazole derivatives and their use as microbicides | NIHON BAYER AGROCHEM K.K. (JP) | 1998-01-07 | — | — | EP | disclosed |