⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL18293470 | 0.82 | — | — | |
| SCHEMBL18293507 | 0.81 | — | — | |
| SCHEMBL18293469 | 0.81 | — | — | |
| SCHEMBL18293475 | 0.81 | — | — | |
| SCHEMBL20176523 | 0.81 | — | — | |
| SCHEMBL18293457 | 0.78 | — | — | |
| SCHEMBL20176550 | 0.70 | — | — | |
| SCHEMBL26757895 | 0.69 | CHRM2 (0.34) | — | |
| SCHEMBL20176524 | 0.68 | — | — | |
| SCHEMBL20176520 | 0.68 | CYP1A2 (0.30) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-20180141887-A1 | HYDROFLUOROOLEFINS AND METHODS OF USING SAME | 3M INNOVATIVE PROPERTIES COMPANY (US) | 2018-05-24 | — | — | US | disclosed |