⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7905018 | 0.83 | GSK3A (0.36) | — | |
| SCHEMBL19222411 | 0.75 | GSK3A (0.31) | — | |
| SCHEMBL4596796 | 0.71 | HCAR2 (0.36) | — | |
| SCHEMBL6439482 | 0.70 | GSK3A (0.33) | — | |
| SCHEMBL15346176 | 0.70 | — | — | |
| SCHEMBL156720 | 0.70 | — | — | |
| SCHEMBL7304750 | 0.69 | — | — | |
| SCHEMBL11331308 | 0.64 | CMA1 (0.33) | — | |
| SCHEMBL420160 | 0.63 | — | — | |
| SCHEMBL7156433 | 0.62 | — | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| JP-2011116834-A | LIQUID CRYSTALLINE POLYESTER, RESIN COMPOSITION THEREOF, AND MOLDED PRODUCT MADE OF THE SAME | TORAY IND INC | 2011-06-16 | — | — | JP | disclosed |