⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL28439125 | 0.97 | THRB (0.46) | — | |
| SCHEMBL26979815 | 0.92 | — | — | |
| SCHEMBL17769691 | 0.85 | TSHR (0.38) | — | |
| SCHEMBL1164867 | 0.85 | THRB (0.62) | — | |
| SCHEMBL25389134 | 0.82 | THRB (0.59) | — | |
| SCHEMBL5709983 | 0.82 | THRB (0.59) | — | |
| SCHEMBL22395412 | 0.82 | THRB (0.59) | — | |
| SCHEMBL25303278 | 0.82 | THRB (0.59) | — | |
| SCHEMBL9278178 | 0.82 | THRB (0.59) | — | |
| SCHEMBL28728497 | 0.80 | — | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-118146186-A | Preparation method of cyclic carbonate with cyano group | 张家港市国泰华荣化工新材料有限公司 | 2024-06-07 | — | — | CN | disclosed |
| EP-2553078-A1 | COMPOSITIONS COMPRISING ORGANOSILICONES | The Procter & Gamble Company (US) | 2013-02-06 | — | — | EP | disclosed |
| WO-2011123739-A1 | COMPOSITIONS COMPRISING ORGANOSILICONES | THE PROCTER & GAMBLE COMPANY (US) | 2011-10-06 | — | — | WO | disclosed |
| US-20110243876-A1 | ORGANOSILICONES | THE PROCTER & GAMBLE COMPANY | 2011-10-06 | — | — | US | disclosed |