⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL16330212 | 0.84 | — | — | |
| SCHEMBL12401723 | 0.82 | HDAC4 (0.33) | — | |
| SCHEMBL12401742 | 0.81 | KMT2A (0.31) | — | |
| SCHEMBL12401532 | 0.79 | CTSK (0.36) | — | |
| SCHEMBL12401535 | 0.79 | CTSK (0.36) | — | |
| SCHEMBL12401547 | 0.68 | CTSS (0.37) | — | |
| SCHEMBL12401544 | 0.68 | CTSS (0.37) | — | |
| SCHEMBL13881436 | 0.67 | MAPT (0.33) | — | |
| SCHEMBL12401639 | 0.67 | CTSK (0.35) | — | |
| SCHEMBL14943751 | 0.67 | RAB9A (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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20110165120-A1 | INHIBITORS OF SERINE PROTEASES | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2011-07-07 | — | — | US | disclosed |