⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL28294844 | 0.86 | LMNA (0.34) | — | |
| SCHEMBL28294841 | 0.76 | LMNA (0.33) | — | |
| SCHEMBL6761673 | 0.75 | POLA1 (0.31) | — | |
| SCHEMBL28294920 | 0.75 | L3MBTL1 (0.36) | — | |
| SCHEMBL7024939 | 0.70 | POLB (0.44) | — | |
| SCHEMBL28293057 | 0.70 | HINT1 (0.36) | — | |
| SCHEMBL25390814 | 0.69 | PDE4D (0.38) | — | |
| SCHEMBL10613710 | 0.68 | PDE3A (0.36) | — | |
| SCHEMBL9182112 | 0.66 | PDE4D (0.31) | — | |
| SCHEMBL25400566 | 0.64 | POLB (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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-109661232-A | NUCLEOTIDE DERIVATIVES AND METHODS OF USE THEREOF | 纽约哥伦比亚大学董事会 | 2019-04-19 | — | — | CN | disclosed |