⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8538914 | 0.86 | — | — | |
| SCHEMBL10599090 | 0.77 | — | — | |
| SCHEMBL5333125 | 0.75 | TSHR (0.33) | — | |
| SCHEMBL133652 | 0.75 | — | — | |
| SCHEMBL20610131 | 0.73 | TSHR (0.30) | — | |
| SCHEMBL10826 | 0.73 | TSHR (0.43) | — | |
| SCHEMBL27996797 | 0.73 | TSHR (0.37) | — | |
| SCHEMBL3649904 | 0.71 | — | — | |
| SCHEMBL3837098 | 0.71 | — | — | |
| SCHEMBL27752639 | 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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-105693758-A | Preparation method of trimerization isocyan urea acid ester silane | 荆州市江汉精细化工有限公司 | 2016-06-22 | — | — | CN | disclosed |
| CN-104302644-A | Thiazolecarboxamide derivatives and methods of use thereof | NIHON NOHYAKU CO LTD | 2015-01-21 | — | — | CN | disclosed |
| CN-101115701-A | Process for production of aromatic hydrocarbon | MASARU ICHIKAWA (JP) | 2008-01-30 | — | — | CN | disclosed |
| US-5719155-A | CARDIOVASCULAR DISORDERS | JAPAN TOBACCO INC. (JP) | 1998-02-17 | — | — | US | disclosed |
| EP-0677519-A1 | CHROMAN DERIVATIVE AND MEDICINAL USE THEREOF | Japan Tobacco Inc. (JP) | 1995-10-18 | — | — | EP | disclosed |
| US-4600719-A | Tetrahydropyridine and piperidine derivatives | CIBA GEIGY CORPORATION (US) | 1986-07-15 | — | — | US | disclosed |
| US-4210655-A | Anti-depressant benzofuranyl piperidines | CIBA-GEIGY CORPORATION (US) | 1980-07-01 | — | — | US | disclosed |
| US-3974280-A | Benzothiophenes | CIBA-GEIGY CORPORATION (US) | 1976-08-10 | — | — | US | disclosed |