⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL11048914 | 0.85 | CSNK2A2 (0.36) | — | |
| SCHEMBL125379 | 0.79 | GABRA1 (0.30) | — | |
| SCHEMBL8348913 | 0.79 | NOS3 (0.36) | — | |
| SCHEMBL8175325 | 0.77 | — | — | |
| SCHEMBL8104758 | 0.77 | — | — | |
| SCHEMBL7987969 | 0.77 | TRPA1 (0.31) | — | |
| SCHEMBL2139795 | 0.77 | — | — | |
| SCHEMBL5972309 | 0.74 | — | — | |
| SCHEMBL8097028 | 0.74 | PTGS2 (0.32) | — | |
| SCHEMBL27925972 | 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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2336217-B1 | POLYESTER POLYMERIZATION CATALYST AND METHOD FOR PRODUCING POLYESTER USING SAME | TORAY INDUSTRIES (JP) | 2015-01-14 | — | — | EP | disclosed |
| US-8816041-B2 | Polyester polymerization catalyst and method for producing polyester using the same | TORAY INDUSTRIES, INC. (JP) | 2014-08-26 | — | — | US | disclosed |
| US-20110178265-A1 | POLYESTER POLYMERIZATION CATALYST AND METHOD FOR PRODUCING POLYESTER USING THE SAME | TORAY INDUSTRIES, INC. (JP) | 2011-07-21 | — | — | US | disclosed |
| EP-2336217-A1 | POLYESTER POLYMERIZATION CATALYST AND METHOD FOR PRODUCING POLYESTER USING SAME | Toray Industries, Inc. (JP) | 2011-06-22 | — | — | EP | disclosed |