⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3292560 | 0.91 | — | — | |
| SCHEMBL16691801 | 0.83 | — | — | |
| SCHEMBL11220748 | 0.83 | TLR4 (0.33) | — | |
| SCHEMBL7703871 | 0.83 | CA1 (0.37) | — | |
| SCHEMBL1626353 | 0.83 | — | — | |
| SCHEMBL6903135 | 0.83 | CA1 (0.37) | — | |
| SCHEMBL7703873 | 0.83 | CA1 (0.37) | — | |
| SCHEMBL7706418 | 0.81 | KMT2A (0.39) | — | |
| SCHEMBL18706979 | 0.80 | — | — | |
| SCHEMBL1515508 | 0.77 | — | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20090182033-A1 | Cyclic Amine Derivatives and Their Uses | ARGENTA DISCOVERY LTD. (GB) | 2009-07-16 | — | — | US | disclosed |
| EP-1971572-A1 | CYCLIC AMINE DERIVATIVES AND THEIR USES | Argenta Discovery Limited (GB) | 2008-09-24 | — | — | EP | disclosed |
| WO-2007068929-A1 | CYCLIC AMINE DERIVATIVES AND THEIR USES | ARGENTA DISCOVERY LTD. (GB) | 2007-06-21 | — | — | WO | disclosed |