⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4052214 | 1.00 | — | — | |
| SCHEMBL4059127 | 0.80 | TET2 (0.32) | — | |
| SCHEMBL4059119 | 0.80 | TET2 (0.32) | — | |
| SCHEMBL4629249 | 0.69 | ALDH1A1 (0.45) | — | |
| SCHEMBL4629251 | 0.69 | ALDH1A1 (0.45) | — | |
| SCHEMBL4056674 | 0.68 | HMGCR (0.30) | — | |
| SCHEMBL4060403 | 0.68 | CYP2C19 (0.40) | — | |
| SCHEMBL4060400 | 0.68 | CYP2C19 (0.40) | — | |
| SCHEMBL1524596 | 0.67 | ELANE (0.33) | — | |
| SCHEMBL4056692 | 0.66 | GGPS1 (0.39) | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2009110655-A1 | NOVEL BETA SUBSTITUTED MORITA-BAYLIS-HILLMAN DERIVATIVES | SUNGKYUNKWAN UNIVERSITY FOUNDATION FOR CORPORATE COLLABORATION (KR) | 2009-09-11 | — | — | WO | claimed |
| WO-2009110655-A1 | NOVEL BETA SUBSTITUTED MORITA-BAYLIS-HILLMAN DERIVATIVES | SUNGKYUNKWAN UNIVERSITY FOUNDATION FOR CORPORATE COLLABORATION (KR) | 2009-09-11 | — | — | WO | disclosed |