⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL28310242 | 0.77 | — | — | |
| SCHEMBL7766646 | 0.76 | — | — | |
| SCHEMBL6229260 | 0.72 | ALDH1A1 (0.48) | — | |
| SCHEMBL14778666 | 0.72 | ALDH1A1 (0.48) | — | |
| SCHEMBL1959295 | 0.70 | — | — | |
| SCHEMBL3587837 | 0.70 | — | — | |
| SCHEMBL3582899 | 0.70 | — | — | |
| SCHEMBL3524631 | 0.68 | — | — | |
| SCHEMBL4662102 | 0.68 | ALDH1A1 (0.43) | — | |
| SCHEMBL7758299 | 0.68 | — | — |
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-20110082312-A1 | PRODUCTION OF COMPOUNDS COMPRISING CF30 GROUPS | MERCK PATENT GESELLSCHAFT MIT DESCHRANKTER HAFTUNG (DE) | 2011-04-07 | — | — | US | disclosed |