⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL10594169 | 0.72 | — | — | |
| SCHEMBL460312 | 0.72 | — | — | |
| SCHEMBL460310 | 0.72 | — | — | |
| SCHEMBL471797 | 0.72 | — | — | |
| SCHEMBL30470 | 0.69 | — | — | |
| SCHEMBL2466745 | 0.69 | — | — | |
| SCHEMBL30471 | 0.69 | — | — | |
| SCHEMBL14784025 | 0.67 | — | — | |
| SCHEMBL25226765 | 0.67 | — | — | |
| SCHEMBL19433829 | 0.67 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2021132390-A1 | METHOD FOR PRODUCING 1-CHLORO-2,3,3-TRIFLUOROPROPENE | ＡＧＣ株式会社 | 2021-07-01 | — | — | WO | disclosed |