⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL16497515 | 0.95 | — | — | |
| SCHEMBL2472308 | 0.87 | — | — | |
| SCHEMBL16497419 | 0.82 | — | — | |
| SCHEMBL423646 | 0.79 | THRB (0.30) | — | |
| SCHEMBL11120239 | 0.76 | — | — | |
| SCHEMBL18061534 | 0.75 | THRB (0.31) | — | |
| SCHEMBL13519439 | 0.73 | — | — | |
| SCHEMBL13519403 | 0.71 | — | — | |
| SCHEMBL19543123 | 0.71 | — | — | |
| SCHEMBL4077850 | 0.70 | — | — |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20170065927-A1 | COATED MOLECULAR SIEVE | NANOSCAPE AG (DE) | 2017-03-09 | — | — | US | disclosed |
| EP-2054150-B1 | HYDROPHOBICALLY COATED MOLECULAR SIEVE | NANOSCAPE AG (DE) | 2010-09-29 | — | — | EP | disclosed |
| US-20100068474-A1 | COATED MOLECULAR SIEVE | NANOSCAPE AG (DE) | 2010-03-18 | — | — | US | disclosed |
| EP-2054150-A2 | COATED MOLECULAR SIEVE | Nanoscape AG (DE) | 2009-05-06 | — | — | EP | disclosed |
| WO-2008000457-A2 | COATED MOLECULAR SIEVE | NANOSCAPE AG (DE) | 2008-01-03 | — | — | WO | disclosed |