⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8170204 | 0.73 | TSHR (0.40) | — | |
| SCHEMBL1220821 | 0.73 | — | — | |
| SCHEMBL1482678 | 0.73 | TSHR (0.33) | — | |
| SCHEMBL272825 | 0.71 | — | — | |
| Ammonia Solution, Strong SCHEMBL16628515 | 0.71 | — | — | |
| SCHEMBL17966582 | 0.71 | TSHR (0.38) | — | |
| SCHEMBL159716 | 0.71 | — | — | |
| SCHEMBL11240073 | 0.71 | — | — | |
| SCHEMBL523016 | 0.71 | — | — | |
| SCHEMBL25292768 | 0.69 | TSHR (0.30) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-9175141-B2 | Cyclosiloxane-substituted polysiloxane compounds, compositions containing the compounds and methods of use thereof | BIOFILM IP, LLC (US) | 2015-11-03 | — | — | US | disclosed |
| EP-2601245-A1 | CYCLOSILOXANE-SUBSTITUTED POLYSILOXANE COMPOUNDS, COMPOSITIONS CONTAINING THE COMPOUNDS AND METHODS OF USE THEREOF | Biofilm IP, LLC (US) | 2013-06-12 | — | — | EP | disclosed |
| US-20120064022-A1 | CYCLOSILOXANE-SUBSTITUTED POLYSILOXANE COMPOUNDS, COMPOSITIONS CONTAINING THE COMPOUNDS AND METHODS OF USE THEREOF | BIOFILM, INC. | 2012-03-15 | — | — | US | disclosed |
| WO-2012018403-A1 | CYCLOSILOXANE-SUBSTITUTED POLYSILOXANE COMPOUNDS, COMPOSITIONS CONTAINING THE COMPOUNDS AND METHODS OF USE THEREOF | BIOFILM IP, LLC (US) | 2012-02-09 | — | — | WO | disclosed |
| EP-1233014-A1 | ASYMMETRIC ORGANIC PEROXIDE, CROSSLINKING AGENT COMPRISING THE SAME, AND METHOD OF CROSSLINKING WITH THE SAME | NOF CORPORATION (JP) | 2002-08-21 | — | — | EP | disclosed |
| US-5130041-A | Mixture of polydimethylsiloxane and its copolymer with phenylmethylsiloxane; hydraulic applications | DOW CORNING CORPORATION (US) | 1992-07-14 | — | — | US | disclosed |