⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2880538 | 0.85 | SLC22A6 (0.30) | — | |
| SCHEMBL9730764 | 0.78 | — | — | |
| SCHEMBL10341758 | 0.77 | KDM4E (0.33) | — | |
| SCHEMBL1155198 | 0.77 | KDM4E (0.33) | — | |
| SCHEMBL353716 | 0.76 | KDM4E (0.48) | — | |
| SCHEMBL354021 | 0.75 | KDM4E (0.45) | — | |
| SCHEMBL21392064 | 0.74 | ALDH1A1 (0.35) | — | |
| SCHEMBL11324359 | 0.74 | SLC22A6 (0.33) | — | |
| SCHEMBL27683953 | 0.72 | KDM4E (0.33) | — | |
| SCHEMBL14134835 | 0.71 | KISS1R (0.38) | — |
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-20190291045-A1 | 1-Amino-2-Methyl-2-Propanol Derivatives | TPAT IP LLC | 2019-09-26 | — | — | US | disclosed |
| US-10307707-B2 | 1-amino-2-methyl-2-propanol derivatives | TPAT IP LLC | 2019-06-04 | — | — | US | disclosed |
| US-7629400-B2 | Image making medium | HYMAN SYDNEY | 2009-12-08 | — | — | US | disclosed |
| US-20030035917-A1 | Image making medium | HYMAN SYDNEY (US) | 2003-02-20 | — | — | US | disclosed |
| EP-1033913-A1 | ZWITTERIONIC FATTY ACID COMPOUNDS FOR ANTI-INFLAMATION | Pugliese, Peter T. (US) | 2000-09-13 | — | — | EP | disclosed |
| WO-1999027791-A1 | ZWITTERIONIC FATTY ACID COMPOUNDS FOR ANTI-INFLAMATION | PUGLIESE PETER T (US) | 1999-06-10 | — | — | WO | disclosed |