⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5527022 | 0.74 | ALDH1A1 (0.33) | — | |
| SCHEMBL537522 | 0.74 | — | — | |
| SCHEMBL28817779 | 0.70 | — | — | |
| SCHEMBL16180041 | 0.70 | — | — | |
| SCHEMBL22167054 | 0.70 | — | — | |
| SCHEMBL4728010 | 0.70 | — | — | |
| Ammonia Solution, Strong SCHEMBL11351892 | 0.70 | — | — | |
| SCHEMBL1315447 | 0.70 | — | — | |
| Ammonia Solution, Strong SCHEMBL7516147 | 0.67 | — | — | |
| SCHEMBL22167055 | 0.67 | — | — |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-110452371-B | Preparation method of triazole-terminated polyether | 北京理工大学 | 2020-08-11 | — | — | CN | disclosed |
| US-20170247401-A1 | COMPOUNDS AND METHODS FOR TREATING BACTERIAL INFECTIONS | WASHINGTON UNIVERSITY | 2017-08-31 | — | — | US | disclosed |
| EP-2193172-B1 | PHENYLPYRIDO [1,2-A]INDOLIUM-DERIVED THIOL/DISULFIDE DYE, DYE COMPOSITION COMPRISING THIS DYE, PROCESS FOR LIGHTENING KERATIN MATERIALS USING THIS DYE | OREAL (FR) | 2013-05-01 | — | — | EP | disclosed |
| US-20070015892-A1 | Method for producing polymer, polymer, composition for forming insulating film, method for producing insulating film, and insulating film | JSR CORPORATION (JP) | 2007-01-18 | — | — | US | disclosed |
| EP-1705206-A1 | METHOD FOR PRODUCING POLYMER, POLYMER, COMPOSITION FOR FORMING INSULATING FILM, METHOD FOR PRODUCING INSULATING FILM, AND INSULATING FILM | JSR Corporation (JP) | 2006-09-27 | — | — | EP | disclosed |