⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6460561 | 0.76 | — | — | |
| SCHEMBL8351504 | 0.75 | — | — | |
| SCHEMBL28155306 | 0.75 | — | — | |
| Ammonia Solution, Strong SCHEMBL3196659 | 0.73 | — | — | |
| SCHEMBL11143894 | 0.73 | — | — | |
| SCHEMBL3648857 | 0.73 | — | — | |
| SCHEMBL2820358 | 0.73 | — | — | |
| SCHEMBL15344088 | 0.72 | ALDH1A1 (0.48) | — | |
| SCHEMBL6699186 | 0.72 | — | — | |
| SCHEMBL6708220 | 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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-106732669-B | A kind of MoS as photoelectrocatalysis liberation of hydrogen material2/In2S3Composite catalyst and preparation method thereof | 北京化工大学 | 2019-01-29 | — | — | CN | disclosed |
| CN-107266706-A | A kind of light flexible hydrophilic polyethylene copper sulfide photothermal deformation nano compound film and preparation method thereof | 中国科学院合肥物质科学研究院 | 2017-10-20 | — | — | CN | disclosed |
| US-6328951-B1 | MIXING NON-CORROSIVE SUPPORT SUBSTANCE, TABLET BINDER SUBSTANCE; FRAGRANCE AND SILICONE RESIN, CHELATING AGENT AND SURFACTANT, TABLETING MIXTURE; MIXING WITH WATER, USING SOLUTION IN STEAM CHAMBER OF IRON USED IN FABRIC IRONING | INTERNATIONAL FLAVORS & FRAGRANCES INC. | 2001-12-11 | — | — | US | disclosed |
| US-5986074-A | CHELATE COMPOUNDS AS IMAGING AGENTS AND KITS | EMORY UNIVERSITY (US) | 1999-11-16 | — | — | US | disclosed |
| US-5955053-A | TECHNETIUM OR RHENIUM CHELATES WITH LIGANDS SUCH AS DITHIOUREA, CYSTEINYLETHYLENE OR THIOACETAMIDETHIOUREA FOR IMAGES | EMORY UNIVERSITY (US) | 1999-09-21 | — | — | US | disclosed |
| US-5955053-A | TECHNETIUM OR RHENIUM CHELATES WITH LIGANDS SUCH AS DITHIOUREA, CYSTEINYLETHYLENE OR THIOACETAMIDETHIOUREA FOR IMAGES | EMORY UNIVERSITY (US) | 1999-09-21 | — | — | US | disclosed |