⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL62388 | 0.76 | — | — | |
| SCHEMBL22311 | 0.76 | TSHR (0.38) | — | |
| SCHEMBL9979302 | 0.74 | ALDH1A1 (0.33) | — | |
| SCHEMBL27798646 | 0.74 | LMNA (0.36) | — | |
| SCHEMBL28118298 | 0.74 | LMNA (0.36) | — | |
| Propylene Glycol SCHEMBL7262024 | 0.72 | TDP1 (0.59) | — | |
| SCHEMBL524448 | 0.72 | — | — | |
| Propylene Glycol SCHEMBL962369 | 0.72 | — | — | |
| Propylene Glycol SCHEMBL259009 | 0.72 | TDP1 (0.59) | — | |
| Propylene Glycol SCHEMBL44181 | 0.72 | TDP1 (0.59) | — |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20180206505-A1 | Botanical Antimicrobial Compositions | THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK | 2018-07-26 | — | — | US | disclosed |
| US-9968101-B2 | Botanical antimicrobial compositions | THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) | 2018-05-15 | — | — | US | disclosed |
| US-20140242198-A1 | BOTANICAL ANTIMICROBIAL COMPOSITIONS | THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK | 2014-08-28 | — | — | US | disclosed |
| US-20130230609-A1 | ANTIMICROBIAL/PRESERVATIVE COMPOSITIONS COMPRISING BOTANICALS | THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK | 2013-09-05 | — | — | US | disclosed |
| US-20120201902-A1 | ANTIMICROBIAL/PRESERVATIVE COMPOSITIONS COMPRISING BOTANICALS | THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) | 2012-08-09 | — | — | US | disclosed |
| EP-2448416-A1 | ANTIMICROBIAL/PRESERVATIVE COMPOSITIONS COMPRISING BOTANICALS | The Trustees of Columbia University in the City of New York (US) | 2012-05-09 | — | — | EP | disclosed |
| WO-2011002929-A1 | ANTIMICROBIAL/PRESERVATIVE COMPOSITIONS COMPRISING BOTANICALS | THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) | 2011-01-06 | — | — | WO | disclosed |