⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL11263966 | 1.00 | — | — | |
| SCHEMBL20615600 | 1.00 | — | — | |
| SCHEMBL11263963 | 1.00 | — | — | |
| SCHEMBL20602038 | 0.93 | — | — | |
| SCHEMBL20602039 | 0.93 | — | — | |
| SCHEMBL17372084 | 0.76 | NOS3 (0.31) | — | |
| SCHEMBL11347138 | 0.75 | CRBN (0.33) | — | |
| SCHEMBL11347137 | 0.75 | CRBN (0.33) | — | |
| SCHEMBL11258552 | 0.70 | ALDH1A1 (0.35) | — | |
| SCHEMBL22699174 | 0.70 | ALDH1A1 (0.35) | — |
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-2019005841-A1 | THERAPEUTIC COMPOUNDS AND METHODS TO TREAT INFECTION | RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) | 2019-01-03 | — | — | WO | disclosed |