⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL20663372 | 0.74 | — | — | |
| SCHEMBL20707635 | 0.67 | — | — | |
| SCHEMBL30466438 | 0.65 | TPMT (0.34) | — | |
| SCHEMBL12656503 | 0.63 | — | — | |
| SCHEMBL15934357 | 0.61 | — | — | |
| SCHEMBL7946818 | 0.59 | — | — | |
| SCHEMBL8726716 | 0.58 | — | — | |
| SCHEMBL30715539 | 0.58 | — | — | |
| SCHEMBL20683648 | 0.56 | — | — | |
| SCHEMBL12719216 | 0.56 | — | — |
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-20190202774-A1 | BIARYL COMPOUNDS AS ANTIMICROBIAL AND CHEMOTHERAPEUTIC AGENTS | WILLIAM MARSH RICE UNIVERSITY (US) | 2019-07-04 | — | — | US | disclosed |