⚠ 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 | |
|---|---|---|---|---|
| Trifluoroethanol SCHEMBL28192499 | 0.80 | MEN1 (0.36) | — | |
| SCHEMBL266764 | 0.80 | — | — | |
| Trifluoroethanol SCHEMBL4869 | 0.80 | — | — | |
| Trifluoroethanol SCHEMBL8952016 | 0.80 | — | — | |
| SCHEMBL25354322 | 0.76 | — | — | |
| Trifluoroethanol SCHEMBL7993974 | 0.76 | — | — | |
| Trifluoroethanol SCHEMBL319180 | 0.76 | — | — | |
| SCHEMBL30959718 | 0.76 | — | — | |
| Trifluoroethanol SCHEMBL3396004 | 0.76 | — | — | |
| Trifluoroethanol SCHEMBL28239185 | 0.76 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-2012832-A2 | METHODS FOR ASSESSING CELL LABELING | Celsense, Inc. (US) | 2009-01-14 | — | — | EP | disclosed |
| WO-2008054509-A2 | METHODS FOR ASSESSING CELL LABELING | CELSENSE, INC. (US) | 2008-05-08 | — | — | WO | disclosed |