⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL214749 | 0.82 | — | — | |
| SCHEMBL4620206 | 0.67 | — | — | |
| SCHEMBL237688 | 0.67 | — | — | |
| SCHEMBL6040017 | 0.67 | — | — | |
| SCHEMBL23644895 | 0.58 | — | — | |
| SCHEMBL15324257 | 0.58 | — | — | |
| SCHEMBL18589 | 0.58 | — | — | |
| SCHEMBL6253254 | 0.58 | — | — | |
| SCHEMBL11450027 | 0.58 | — | — | |
| SCHEMBL29538745 | 0.58 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-20110274618-A1 | DIAGNOSTIC AND/OR THERAPEUTIC AGENT, METHOD FOR THE MANUFACTURE THEREOF AND USE THEREOF | LEIBNIZ-INSTITUT FUER FESTKOERPER-UND WERKSTOFFFORSCHUNG DRESDEN E.V. (DE) | 2011-11-10 | — | — | US | disclosed |