⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL12628260 | 0.80 | KLK1 (0.36) | — | |
| SCHEMBL10458238 | 0.74 | TSHR (0.30) | — | |
| SCHEMBL23074670 | 0.72 | TAAR1 (0.37) | — | |
| SCHEMBL4460740 | 0.72 | POLB (0.32) | — | |
| SCHEMBL1930323 | 0.72 | ALDH1A1 (0.37) | — | |
| SCHEMBL6474156 | 0.72 | — | — | |
| SCHEMBL13990834 | 0.72 | TLR4 (0.32) | — | |
| SCHEMBL3119777 | 0.70 | SCN8A (0.36) | — | |
| SCHEMBL23067901 | 0.70 | DRD2 (0.37) | — | |
| SCHEMBL31096460 | 0.70 | TDP1 (0.32) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-20070197577-A1 | Inhibitors of anthrax lethal factor | CENGENT THERAPEUTICS (US) | 2007-08-23 | — | — | US | disclosed |
| WO-2005027856-A2 | INHIBITORS OF ANTHRAX LETHAL FACTOR | CENGENT THERAPEUTICS (US) | 2005-03-31 | — | — | WO | disclosed |