⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL374806 | 0.80 | — | — | |
| SCHEMBL12662632 | 0.77 | ALDH1A1 (0.37) | — | |
| SCHEMBL374884 | 0.77 | ALDH1A1 (0.37) | — | |
| SCHEMBL7640810 | 0.77 | TSHR (0.43) | — | |
| SCHEMBL297420 | 0.75 | MMP8 (0.30) | — | |
| SCHEMBL3717631 | 0.75 | MMP8 (0.30) | — | |
| SCHEMBL11660569 | 0.75 | — | — | |
| Tert-Butyl Hydroperoxide SCHEMBL27517435 | 0.74 | ALDH1A1 (0.50) | — | |
| SCHEMBL11648034 | 0.74 | ALDH1A1 (0.30) | — | |
| SCHEMBL35002 | 0.72 | TSHR (0.52) | — |
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-8841384-B2 | Material comprising polyazacycloalkanes, grafted on polypropylene fibres, its process of preparation, and process for removing metal cations from a liquid | COMMISSARIAT A L'ENERGIE ATOMIQUE (FR) | 2014-09-23 | — | — | US | disclosed |
| US-20100059446-A1 | MATERIAL COMPRISING POLYAZACYCLOALKANES, GRAFTED ON POLYPROPYLENE FIBRES, ITS PROCESS OF PREPARATION, AND PROCESS FOR REMOVING METAL CATIONS FROM A LIQUID | COMMISSARIAT A L'ENERGIE ATOMIQUE (FR) | 2010-03-11 | — | — | US | disclosed |
| EP-0606096-B1 | OO-t-alkyl O-polycaprolactone monoperoxycarbonates | ATOFINA CHEM INC (US) | 2001-09-12 | — | — | EP | disclosed |
| EP-0606096-A1 | OO-t-alkyl O-polycaprolactone monoperoxycarbonates | ELF ATOCHEM NORTH AMERICA, INC. (US) | 1994-07-13 | — | — | EP | disclosed |
| US-5314970-A | Block and graft copolymers; compatibilizing agents | ELF ATOCHEM NORTH AMERICA, INC. (US) | 1994-05-24 | — | — | US | disclosed |