⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4291612 | 0.81 | — | — | |
| SCHEMBL7153740 | 0.81 | — | — | |
| SCHEMBL4105257 | 0.80 | ALDH1A1 (0.38) | — | |
| Oxirane SCHEMBL3812959 | 0.76 | ALDH1A1 (0.32) | — | |
| SCHEMBL4925723 | 0.75 | — | — | |
| SCHEMBL8442819 | 0.75 | — | — | |
| SCHEMBL193534 | 0.75 | — | — | |
| SCHEMBL10070931 | 0.75 | — | — | |
| SCHEMBL669900 | 0.75 | ALDH1A1 (0.35) | — | |
| SCHEMBL182417 | 0.71 | LMNA (0.35) | — |
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 |