⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL13960186 | 0.91 | — | — | |
| SCHEMBL14190927 | 0.88 | — | — | |
| SCHEMBL7994075 | 0.80 | — | — | |
| SCHEMBL180666 | 0.79 | — | — | |
| SCHEMBL132364 | 0.79 | TSHR (0.67) | — | |
| SCHEMBL496221 | 0.76 | TSHR (0.72) | — | |
| SCHEMBL7329781 | 0.76 | TSHR (0.72) | — | |
| SCHEMBL2154814 | 0.76 | TSHR (0.72) | — | |
| SCHEMBL495310 | 0.76 | TSHR (0.72) | — | |
| Hydrochloric Acid SCHEMBL7947881 | 0.76 | TSHR (0.63) | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2013016206-A1 | ANTI-BIOFILM COMPOUNDS | UNIVERSITY OF LOUISVILLE RESEARCH FOUNDATION, INC. (US) | 2013-01-31 | — | — | WO | disclosed |
| WO-2012068176-A1 | AMINE-CONTAINING TRANSFECTION REAGENTS AND METHODS FOR MAKING AND USING SAME | Life Technologies Corporation (US) | 2012-05-24 | — | — | WO | disclosed |
| WO-2010056567-A1 | IMIDAZOISOINDOLE NEUROPEPTIDE S RECEPTOR ANTAGONISTS | MERCK SHARP & DOHME CORP. (US) | 2010-05-20 | — | — | WO | disclosed |
| WO-2008076256-A1 | WATER-SOLUBLE PRODRUGS OF CHLORAMPHENICOL, THIAMPHENICOL, AND ANALOGS THEREOF | SCHERING-PLOUGH LTD. (CH) | 2008-06-26 | — | — | WO | disclosed |
| WO-2008050078-A1 | PTERIDINE DERIVATIVES AS POLO-LIKE KINASE INHIBITORS USEFUL IN THE TREATMENT OF CANCER | CHROMA THERAPEUTICS LTD. (GB) | 2008-05-02 | — | — | WO | disclosed |
| WO-2004101534-A1 | A METHOD OF PREPARATION OF N-(1-OXOPENTYL)-N-[[2'-(1H-TETRAZOL-5-y1) [1,1'-BIPHENYL] -4-y1]METHYL]-L-VALINE (VALSARTAN) | ZENTIVA, A. S. (CZ) | 2004-11-25 | — | — | WO | disclosed |