⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL28829650 | 0.79 | SMN1; SMN2 (0.30) | — | |
| SCHEMBL29151779 | 0.76 | — | — | |
| SCHEMBL28324353 | 0.73 | — | — | |
| SCHEMBL195946 | 0.73 | — | — | |
| SCHEMBL6901478 | 0.72 | — | — | |
| SCHEMBL17339054 | 0.72 | — | — | |
| SCHEMBL28547 | 0.72 | — | — | |
| SCHEMBL10696971 | 0.72 | — | — | |
| SCHEMBL7261737 | 0.71 | ALDH1A1 (0.33) | — | |
| SCHEMBL20840028 | 0.71 | THRB (0.33) | — |
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 |