⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5385169 | 1.00 | — | — | |
| SCHEMBL10283708 | 1.00 | — | — | |
| SCHEMBL36949 | 0.78 | HCAR2 (0.52) | — | |
| SCHEMBL13766654 | 0.78 | — | — | |
| SCHEMBL28127590 | 0.78 | — | — | |
| SCHEMBL250949 | 0.76 | ALDH1A1 (0.42) | — | |
| SCHEMBL21667491 | 0.76 | ALDH1A1 (0.42) | — | |
| SCHEMBL14370809 | 0.76 | ALDH1A1 (0.34) | — | |
| SCHEMBL24790886 | 0.75 | KEAP1 (0.33) | — | |
| SCHEMBL19924396 | 0.75 | ALDH1A1 (0.45) | — |
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-8399698-B1 | Substituted activated methylene reagents and methods of using such reagents to form electron deficient olefins | HENKEL IRELAND LIMITED (DE) | 2013-03-19 | — | — | US | disclosed |