⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL224191 | 0.92 | GAA (0.34) | — | |
| SCHEMBL4556029 | 0.78 | CNR1 (0.31) | — | |
| SCHEMBL29816287 | 0.77 | GAA (0.34) | — | |
| SCHEMBL4556026 | 0.76 | — | — | |
| SCHEMBL1263506 | 0.75 | ALDH1A1 (0.36) | — | |
| SCHEMBL22260997 | 0.73 | GAA (0.34) | — | |
| SCHEMBL8771894 | 0.72 | GAA (0.32) | — | |
| SCHEMBL20291762 | 0.72 | ALDH1A1 (0.40) | — | |
| SCHEMBL19118382 | 0.71 | HMGCR (0.35) | — | |
| SCHEMBL4556025 | 0.71 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-20090163652-A1 | THERMOSETTING RESIN COMPOSITION AND USE THEREOF | CHISSO CORPORATION (JP) | 2009-06-25 | — | — | US | disclosed |