⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3068283 | 0.81 | THRB (0.41) | — | |
| SCHEMBL28435855 | 0.79 | — | — | |
| SCHEMBL1976183 | 0.78 | — | — | |
| SCHEMBL8472262 | 0.77 | — | — | |
| SCHEMBL10977945 | 0.77 | — | — | |
| SCHEMBL1272202 | 0.77 | THRB (0.38) | — | |
| SCHEMBL7005415 | 0.77 | — | — | |
| SCHEMBL20591186 | 0.75 | THRB (0.36) | — | |
| SCHEMBL21903967 | 0.75 | — | — | |
| SCHEMBL28429384 | 0.75 | — | — |
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-2006084112-A2 | IMPLANTABLE BIOMEDICAL DEVICES INCLUDING BIOCOMPATIBLE POLYURETHANES | CLEMSON UNIVERSITY (US) | 2006-08-10 | — | — | WO | disclosed |