⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL29194757 | 0.78 | — | — | |
| SCHEMBL16772861 | 0.76 | ALDH1A1 (0.41) | — | |
| SCHEMBL121296 | 0.76 | — | — | |
| SCHEMBL2545646 | 0.76 | ALDH1A1 (0.41) | — | |
| SCHEMBL8027762 | 0.73 | — | — | |
| SCHEMBL3668666 | 0.73 | — | — | |
| SCHEMBL822259 | 0.73 | — | — | |
| SCHEMBL4558912 | 0.71 | TDP1 (0.37) | — | |
| SCHEMBL12424406 | 0.71 | TDP1 (0.37) | — | |
| SCHEMBL16397049 | 0.71 | — | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-9434723-B2 | Heteroarylpiperidine and -piperazine derivatives as fungicides | BAYER INTELLECTUAL PROPERTY GMBH (DE) | 2016-09-06 | — | — | US | disclosed |
| US-20150175598-A1 | HETEROARYLPIPERIDINE AND -PIPERAZINE DERIVATIVES AS FUNGICIDES | BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) | 2015-06-25 | — | — | US | disclosed |