⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL14034896 | 0.78 | — | — | |
| SCHEMBL6439082 | 0.76 | — | — | |
| SCHEMBL13263355 | 0.76 | — | — | |
| SCHEMBL12877756 | 0.74 | — | — | |
| SCHEMBL5372257 | 0.72 | TP53 (0.30) | — | |
| SCHEMBL23924575 | 0.72 | ALDH1A1 (0.39) | — | |
| SCHEMBL15883840 | 0.71 | — | — | |
| SCHEMBL195346 | 0.71 | — | — | |
| SCHEMBL12216596 | 0.71 | — | — | |
| SCHEMBL20262105 | 0.69 | SLC7A5 (0.60) | — |
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-20240400517-A1 | CHIRAL BIMETALLIC COOPERATIVE CATALYSIS SYSTEM AND USE THEREOF IN ASYMMETRIC SYNTHESIS OF BEDAQUILINE | SHANGHAI JIAO TONG UNIVERSITY (CN) | 2024-12-05 | — | — | US | disclosed |