⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3503342 | 0.78 | TXN (0.55) | — | |
| SCHEMBL1740306 | 0.78 | TXN (0.45) | — | |
| SCHEMBL317286 | 0.74 | — | — | |
| SCHEMBL7658753 | 0.74 | — | — | |
| SCHEMBL8874 | 0.74 | — | — | |
| SCHEMBL1145987 | 0.74 | — | — | |
| SCHEMBL7807377 | 0.74 | — | — | |
| SCHEMBL29111458 | 0.74 | — | — | |
| SCHEMBL7658749 | 0.74 | — | — | |
| Hydrochloric Acid SCHEMBL8049517 | 0.72 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-118307561-B | Photosensitizer for near infrared fluorescence imaging guided photodynamic and photothermal treatment and preparation and application thereof | 广东省第二人民医院（广东省卫生应急医院） | 2024-11-15 | — | — | CN | disclosed |
| CN-118307561-A | Photosensitizer for near infrared fluorescence imaging guided photodynamic and photothermal treatment and preparation and application thereof | 广东省第二人民医院（广东省卫生应急医院） | 2024-07-09 | — | — | CN | disclosed |
| EP-1830837-B1 | HETEROCYCLIC DERIVATIVES FOR THE TREATMENT OF DISEASES MEDIATED BY STEAROYL-COA DESATURASE ENZYMES | XENON PHARMACEUTICALS INC (CA) | 2013-09-04 | — | — | EP | disclosed |
| US-7919496-B2 | 5-[4-(2-Trifluoromethylbenzoyl)piperazin-1-yl]-[1,3,4]thiadiazole-2-carboxylic acid ethyl ester; metabolic disorders type II diabetes, impaired glucose tolerance, insulin resistance, obesity, fatty liver, non-alcoholic steatohepatitis, dyslipidemia and metabolic syndrome; cardiovascular disorders | XENON PHARMACEUTICALS INC. (CA) | 2011-04-05 | — | — | US | disclosed |
| EP-2289510-A1 | Heterocyclic derivatives for the treatment of diseases mediated by stearoyl-coa desaturase enzymes | Xenon Pharmaceuticals Inc. (CA) | 2011-03-02 | — | — | EP | disclosed |
| US-20080108629-A1 | Heterocyclic Derivatives for the Treatment of Diseases Mediated by Stearoyl-Coa Desaturase Enzymes | XENON PHARMACEUTICALS INC. (CA) | 2008-05-08 | — | — | US | disclosed |
| EP-1830837-A2 | HETEROCYCLIC DERIVATIVES FOR THE TREATMENT OF DISEASES MEDIATED BY STEAROYL-COA DESATURASE ENZYMES | XENON PHARMACEUTICALS INC. (CA) | 2007-09-12 | — | — | EP | disclosed |
| WO-2006034315-A2 | HETEROCYCLIC DERIVATIVES FOR THE TREATMENT OF DISEASES MEDIATED BY STEAROYL-COA DESATURASE ENZYMES | XENON PHARMACEUTICALS INC. (CA) | 2006-03-30 | — | — | WO | disclosed |