⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3494492 | 1.00 | — | — | |
| SCHEMBL7525009 | 1.00 | — | — | |
| Trimethylammonium SCHEMBL15820626 | 0.90 | CYP1A2 (0.30) | — | |
| SCHEMBL196713 | 0.81 | — | — | |
| SCHEMBL7558453 | 0.73 | — | — | |
| SCHEMBL1956609 | 0.73 | — | — | |
| SCHEMBL7560829 | 0.73 | — | — | |
| SCHEMBL5748091 | 0.71 | — | — | |
| SCHEMBL5750505 | 0.71 | — | — | |
| SCHEMBL5748082 | 0.71 | — | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20020042055-A1 | Alteration of hydrolase genes and screening of the resulting libraries for the ability to catalyze specific reactions | MAXYGEN, INC. | 2002-04-11 | — | — | US | disclosed |
| WO-2001046476-A1 | ALTERATION OF HYDROLASE GENES AND SCREENING OF THE RESULTING LIBRARIES FOR THE ABILITY TO CATALYZE SPECIFIC REACTIONS | MAXYGEN, INC. (US) | 2001-06-28 | — | — | WO | disclosed |