⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL923 | 0.93 | — | — | |
| SCHEMBL28126470 | 0.86 | — | — | |
| SCHEMBL28239977 | 0.86 | — | — | |
| Methane SCHEMBL27344180 | 0.86 | — | — | |
| SCHEMBL3894920 | 0.86 | — | — | |
| SCHEMBL27481087 | 0.86 | — | — | |
| SCHEMBL18759824 | 0.86 | — | — | |
| SCHEMBL28239112 | 0.86 | — | — | |
| SCHEMBL27853362 | 0.86 | — | — | |
| Ammonia Solution, Strong SCHEMBL5062142 | 0.86 | — | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-102036943-A | Preparation of a catalyst containing CF3Method for preparing compounds of O group | MERCK PATENT GMBH | 2011-04-27 | — | — | CN | disclosed |
| US-20110082312-A1 | PRODUCTION OF COMPOUNDS COMPRISING CF30 GROUPS | MERCK PATENT GESELLSCHAFT MIT DESCHRANKTER HAFTUNG (DE) | 2011-04-07 | — | — | US | disclosed |