⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL186977 | 0.89 | — | — | |
| SCHEMBL548957 | 0.77 | — | — | |
| SCHEMBL28326572 | 0.76 | — | — | |
| SCHEMBL643818 | 0.76 | — | — | |
| SCHEMBL743262 | 0.68 | — | — | |
| SCHEMBL14740958 | 0.68 | — | — | |
| SCHEMBL302005 | 0.67 | — | — | |
| SCHEMBL8611411 | 0.67 | — | — | |
| Hydrochloric Acid SCHEMBL8122291 | 0.66 | — | — | |
| SCHEMBL8614102 | 0.66 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-6903118-B1 | Piperazinyl-substituted pyridylalkane, alkene and alkine carboxamides | KLINGE PHARMA GMBH (DE) | 2005-06-07 | — | — | US | claimed |
| CN-114605350-B | Polymerizable compound, polymerizable composition containing same, and optically anisotropic body | 江苏创拓新材料有限公司 | 2024-09-13 | — | — | CN | disclosed |