⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL12889918 | 0.86 | — | — | |
| SCHEMBL10260977 | 0.82 | — | — | |
| SCHEMBL11264365 | 0.76 | — | — | |
| SCHEMBL10260028 | 0.76 | — | — | |
| SCHEMBL14506235 | 0.70 | — | — | |
| SCHEMBL13744486 | 0.70 | — | — | |
| SCHEMBL13744346 | 0.69 | CHRM2 (0.32) | — | |
| SCHEMBL3648086 | 0.67 | — | — | |
| SCHEMBL855731 | 0.61 | — | — | |
| SCHEMBL3088952 | 0.61 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-1950191-A1 | PROCESS FOR PRODUCING 3,3,3-TRIFLUOROPROPIONIC ACID | Central Glass Co., Ltd. (JP) | 2008-07-30 | — | — | EP | disclosed |