⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL13970386 | 0.67 | — | — | |
| SCHEMBL3428774 | 0.52 | — | — | |
| SCHEMBL17878151 | 0.48 | — | — | |
| SCHEMBL14721840 | 0.48 | — | — | |
| SCHEMBL10077699 | 0.47 | — | — | |
| Hydrochloric Acid SCHEMBL20482683 | 0.46 | — | — | |
| SCHEMBL3027178 | 0.43 | — | — | |
| SCHEMBL4506588 | 0.43 | — | — | |
| SCHEMBL17768521 | 0.43 | — | — | |
| SCHEMBL23465669 | 0.41 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-2487165-A1 | Modulators of pharmacokinetic properties of therapeutics | GILEAD SCIENCES, INC. (US) | 2012-08-15 | — | — | EP | disclosed |