⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL10904044 | 0.80 | — | — | |
| SCHEMBL10904053 | 0.73 | — | — | |
| SCHEMBL8589543 | 0.73 | — | — | |
| SCHEMBL17460458 | 0.72 | — | — | |
| SCHEMBL1760694 | 0.72 | — | — | |
| SCHEMBL22616854 | 0.72 | — | — | |
| SCHEMBL22646548 | 0.72 | — | — | |
| SCHEMBL31258171 | 0.69 | — | — | |
| SCHEMBL2999269 | 0.69 | — | — | |
| SCHEMBL2426119 | 0.69 | — | — |
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 11 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2020118238-A1 | QUATERNARY AMMONIUM SALTS AS INHIBITORS OF TRIMETHYLAMINE PRODUCTION | KINTAI THERAPEUTICS, INC. (US) | 2020-06-11 | — | — | WO | disclosed |
| US-8278482-B2 | Antimicrobial N-chlorinated compositions | NOVABAY PHARMACEUTICALS, INC. (US) | 2012-10-02 | — | — | US | disclosed |
| US-20100158818-A1 | ANTIMICROBIAL N-CHLORINATED COMPOSITIONS | NOVABAY PHARMACEUTICALS, INC. | 2010-06-24 | — | — | US | disclosed |
| US-7649015-B2 | Cellular accumulation of phosphonate analogs of HIV protease inhibitor compounds | GILEAD SCIENCES, INC. (US) | 2010-01-19 | — | — | US | disclosed |
| US-20070010489-A1 | Cellular accumulation of phosphonate analogs of hiv protease inhibitor compounds | GILEAD SCIENCES, INC. | 2007-01-11 | — | — | US | disclosed |
| CN-1080718-C | Vitamin D amine and amine derivatives | RES INST MEDICINE CHEM (US) | 2002-03-13 | — | — | CN | disclosed |
| EP-0734376-B1 | VITAMIN D AMINE AND AMIDE DERIVATIVES | RES INST FOR (US) | 2000-09-20 | — | — | EP | disclosed |
| US-5786347-A | Vitamin D amine and amide derivatives | RESEARCH INSTITUTE FOR MEDICINE AND CHEMISTRY, INC. (US) | 1998-07-28 | — | — | US | disclosed |
| CN-1141625-A | Vitamin D amine and amine derivatives | RES INST MEDICINE CHEM (US) | 1997-01-29 | — | — | CN | disclosed |
| EP-0734376-A1 | VITAMIN D AMINE AND AMIDE DERIVATIVES | RESEARCH INSTITUTE FOR MEDICINE AND CHEMISTRY INC. (US) | 1996-10-02 | — | — | EP | disclosed |
| WO-1995016672-A1 | VITAMIN D AMINE AND AMIDE DERIVATIVES | HOLMES, MICHAEL, JOHN (GB) | 1995-06-22 | — | — | WO | disclosed |