⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL14404559 | 0.78 | CTRC (0.30) | — | |
| SCHEMBL12431900 | 0.73 | PTGS2 (0.38) | — | |
| SCHEMBL14404765 | 0.73 | — | — | |
| SCHEMBL13887939 | 0.72 | GSK3B (0.38) | — | |
| SCHEMBL23978101 | 0.69 | — | — | |
| SCHEMBL17306539 | 0.67 | DAO (0.33) | — | |
| SCHEMBL30632267 | 0.65 | — | — | |
| SCHEMBL1177826 | 0.64 | — | — | |
| SCHEMBL12658946 | 0.64 | CTRC (0.48) | — | |
| SCHEMBL23960261 | 0.62 | — | — |
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-2017067839-A1 | MICROBIOCIDAL PHENYLAMIDINE DERIVATIVES | SYNGENTA PARTICIPATIONS AG (CH) | 2017-04-27 | — | — | WO | disclosed |