⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6785204 | 1.00 | — | — | |
| SCHEMBL2138400 | 1.00 | — | — | |
| SCHEMBL13214260 | 0.82 | ALDH1A1 (0.32) | — | |
| SCHEMBL19860433 | 0.82 | ALDH1A1 (0.32) | — | |
| SCHEMBL6853902 | 0.82 | ALDH1A1 (0.32) | — | |
| SCHEMBL8403001 | 0.81 | POLB (0.31) | — | |
| SCHEMBL8399557 | 0.79 | — | — | |
| SCHEMBL4405473 | 0.77 | — | — | |
| SCHEMBL5069123 | 0.76 | — | — | |
| SCHEMBL9859743 | 0.74 | — | — |
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-8110679-B2 | Nanofilm and membrane compositions | COVALENT PARTNERS LLC (US) | 2012-02-07 | — | — | US | disclosed |
| US-20090114596-A1 | NANOFILM AND MEMBRANE COMPOSITIONS | COVALENT PARTNERS LLC | 2009-05-07 | — | — | US | disclosed |
| US-7368564-B2 | Bridged macrocyclic module compositions | COVALENT PARTNERS, LLC (US) | 2008-05-06 | — | — | US | disclosed |