⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7408678 | 0.84 | GABRA1 (0.31) | — | |
| SCHEMBL5952272 | 0.82 | ENPP2 (0.32) | — | |
| SCHEMBL3826046 | 0.76 | — | — | |
| SCHEMBL580069 | 0.72 | LIPG (0.33) | — | |
| SCHEMBL5899432 | 0.72 | TSHR (0.36) | — | |
| SCHEMBL15533093 | 0.71 | CHRM2 (0.31) | — | |
| SCHEMBL2704513 | 0.71 | TRIM24 (0.34) | — | |
| SCHEMBL22684752 | 0.70 | ENPP2 (0.33) | — | |
| SCHEMBL18642254 | 0.70 | CES2 (0.31) | — | |
| SCHEMBL5953116 | 0.70 | ALDH1A1 (0.36) | — |
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-2002057273-A9 | SERINE PROTEASE INHIBITORS COMPRISING A HYDROGEN-BOND ACCEPTOR | TRIGEN LTD (GB) | 2002-11-28 | — | — | WO | disclosed |