⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL59821 | 0.74 | — | — | |
| SCHEMBL540840 | 0.73 | — | — | |
| SCHEMBL742462 | 0.72 | — | — | |
| Water SCHEMBL2782121 | 0.72 | ALDH1A1 (0.38) | — | |
| SCHEMBL15742308 | 0.71 | ALDH1A1 (0.35) | — | |
| SCHEMBL27591892 | 0.69 | — | — | |
| SCHEMBL4137029 | 0.69 | KDM4E (0.33) | — | |
| SCHEMBL1982189 | 0.67 | — | — | |
| SCHEMBL5371148 | 0.67 | — | — | |
| SCHEMBL31328787 | 0.65 | ARG1 (0.32) | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| 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 |