⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4579793 | 0.72 | — | — | |
| SCHEMBL472032 | 0.72 | — | — | |
| SCHEMBL1470174 | 0.72 | — | — | |
| SCHEMBL25652329 | 0.70 | TDP1 (0.33) | — | |
| SCHEMBL4582995 | 0.68 | — | — | |
| SCHEMBL460113 | 0.68 | — | — | |
| SCHEMBL17275379 | 0.67 | — | — | |
| SCHEMBL17275381 | 0.67 | — | — | |
| SCHEMBL22399151 | 0.67 | — | — | |
| SCHEMBL15879174 | 0.67 | — | — |
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-109641935-A | COMBINATORIAL SYNTHESIS AND BIOMARKER DEVELOPMENT | 莫拉利达尔·瑞迪·穆拉 | 2019-04-16 | — | — | CN | disclosed |