⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9062663 | 0.84 | — | — | |
| SCHEMBL1553119 | 0.80 | — | — | |
| Norflurane SCHEMBL17386499 | 0.74 | — | — | |
| SCHEMBL15124369 | 0.74 | — | — | |
| Propane SCHEMBL27538935 | 0.71 | — | — | |
| Butane SCHEMBL3889739 | 0.68 | — | — | |
| SCHEMBL8853871 | 0.68 | — | — | |
| Chloromethane SCHEMBL20522098 | 0.66 | — | — | |
| Fluoromethane SCHEMBL7069009 | 0.66 | — | — | |
| SCHEMBL16144920 | 0.66 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-105764978-A | Controlling a size of a pylorus | 韩华石油化学株式会社 | 2016-07-13 | — | — | CN | disclosed |