⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL12709696 | 0.84 | TDP1 (0.43) | — | |
| SCHEMBL1118445 | 0.79 | — | — | |
| SCHEMBL6415792 | 0.79 | — | — | |
| SCHEMBL23637744 | 0.77 | — | — | |
| SCHEMBL12273895 | 0.77 | — | — | |
| SCHEMBL19014104 | 0.77 | — | — | |
| SCHEMBL15202801 | 0.77 | — | — | |
| SCHEMBL8468440 | 0.77 | — | — | |
| SCHEMBL22118467 | 0.77 | ALDH1A1 (0.32) | — | |
| SCHEMBL1607406 | 0.77 | TSHR (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 4 patents. 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 |
| US-20110082312-A1 | PRODUCTION OF COMPOUNDS COMPRISING CF30 GROUPS | MERCK PATENT GESELLSCHAFT MIT DESCHRANKTER HAFTUNG (DE) | 2011-04-07 | — | — | US | disclosed |
| US-20110082312-A1 | PRODUCTION OF COMPOUNDS COMPRISING CF30 GROUPS | MERCK PATENT GESELLSCHAFT MIT DESCHRANKTER HAFTUNG (DE) | 2011-04-07 | — | — | US | disclosed |
| WO-2009141053-A1 | PRODUCTION OF COMPOUNDS COMPRISING CF3O GROUPS | MERCK PATENT GMBH, (DE) | 2009-11-26 | — | — | WO | disclosed |