⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL16576596 | 1.00 | — | — | |
| SCHEMBL16688560 | 0.78 | — | — | |
| SCHEMBL11997949 | 0.73 | — | — | |
| SCHEMBL25641643 | 0.73 | — | — | |
| SCHEMBL13433745 | 0.73 | — | — | |
| SCHEMBL16233275 | 0.73 | — | — | |
| SCHEMBL14701162 | 0.70 | — | — | |
| SCHEMBL2917919 | 0.67 | — | — | |
| SCHEMBL21152098 | 0.67 | — | — | |
| SCHEMBL18067224 | 0.67 | FUCA1 (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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20180079755-A1 | PROCESS FOR THE SYNTHESIS OF E1 ACTIVATING ENZYME INHIBITORS | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2018-03-22 | — | — | US | disclosed |