⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL454651 | 0.76 | THRB (0.30) | — | |
| SCHEMBL284285 | 0.75 | — | — | |
| SCHEMBL7036978 | 0.75 | — | — | |
| SCHEMBL19619432 | 0.74 | — | — | |
| SCHEMBL3953939 | 0.74 | THRB (0.32) | — | |
| SCHEMBL30185994 | 0.74 | — | — | |
| SCHEMBL451377 | 0.71 | ALDH1A1 (0.31) | — | |
| SCHEMBL3858084 | 0.71 | DPP4 (0.30) | — | |
| SCHEMBL21247654 | 0.69 | MEN1 (0.33) | — | |
| SCHEMBL2514217 | 0.69 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| JP-2003137842-A | α-FLUOROALKYL-2-ADAMANTYL ACRYLATE COMPOUND AND METHOD FOR PRODUCING THE SAME | TOSOH CORP | 2003-05-14 | — | — | JP | disclosed |