⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6990428 | 0.91 | P2RX7 (0.31) | — | |
| SCHEMBL6697355 | 0.75 | — | — | |
| SCHEMBL5090081 | 0.66 | LCK (0.40) | — | |
| SCHEMBL3140453 | 0.62 | HPGD (0.43) | — | |
| SCHEMBL32665617 | 0.60 | CA12 (0.41) | — | |
| SCHEMBL177032 | 0.60 | LCK (0.39) | — | |
| SCHEMBL7364619 | 0.59 | BTK (0.37) | — | |
| SCHEMBL7365919 | 0.59 | GRIN2D (0.36) | — | |
| SCHEMBL3153720 | 0.59 | F2 (0.38) | — | |
| SCHEMBL5107612 | 0.58 | LCK (0.37) | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1358176-A2 | INHIBITORS OF CRUZIPAIN AND OTHER CYSTEINE PROTEASES | Amura Therapeutics Limited (GB) | 2003-11-05 | — | — | EP | disclosed |
| WO-2002057246-A2 | INHIBITORS OF CRUZIPAIN AND OTHER CYSTEINE PROTEASES | AMURA THERAPEUTICS LIMITED (GB) | 2002-07-25 | — | — | WO | disclosed |