⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL14431027 | 1.00 | — | — | |
| SCHEMBL14325048 | 0.83 | SI (0.38) | — | |
| SCHEMBL280341 | 0.83 | GBA1 (0.35) | — | |
| SCHEMBL13021111 | 0.77 | SI (0.37) | — | |
| SCHEMBL10248617 | 0.76 | SI (0.43) | — | |
| SCHEMBL17933570 | 0.72 | MGAM (0.31) | — | |
| SCHEMBL10774597 | 0.72 | GBA1 (0.37) | — | |
| SCHEMBL20473096 | 0.72 | GBA1 (0.37) | — | |
| SCHEMBL2213105 | 0.68 | — | — | |
| SCHEMBL11981572 | 0.68 | — | — |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20130165457-A9 | INHIBITORS OF E1 ACTIVATING ENZYMES | MILLENNIUM PHARMACEUTICALS, INC. (US) | 2013-06-27 | — | — | US | disclosed |
| US-20120258977-A1 | INHIBITORS OF E1 ACTIVATING ENZYMES | MILLENNIUM PHARMACEUTICALS, INC. (US) | 2012-10-11 | — | — | US | disclosed |
| US-20120258927-A1 | INHIBITORS OF E1 ACTIVATING ENZYMES | MILLENIUM PHARMACEUTICALS, INC. (US) | 2012-10-11 | — | — | US | disclosed |
| US-8207177-B2 | Inhibitors of E1 activating enzymes | MILLENNIUM PHARMACEUTICALS, INC. (US) | 2012-06-26 | — | — | US | disclosed |
| US-20070191293-A1 | Inhibitors of E1 activating enzymes | MILLENNIUM PHARMACEUTICALS, INC. (US) | 2007-08-16 | — | — | US | disclosed |