⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL95083 | 0.83 | — | — | |
| SCHEMBL271099 | 0.77 | — | — | |
| SCHEMBL65357 | 0.77 | — | — | |
| SCHEMBL274229 | 0.77 | — | — | |
| SCHEMBL12395557 | 0.74 | — | — | |
| SCHEMBL724852 | 0.74 | — | — | |
| SCHEMBL273311 | 0.72 | — | — | |
| SCHEMBL110522 | 0.72 | — | — | |
| Tert-Butylamine SCHEMBL1222984 | 0.72 | — | — | |
| SCHEMBL28803249 | 0.72 | — | — |
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-2016185425-A1 | DENDRI-TAC AND THEIR USE AS THERANOSTICS | UNIVERSITE D'AVIGNON ET DES PAYS DU VAUCLUSE (FR) | 2016-11-24 | — | — | WO | disclosed |