⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1177955 | 0.71 | — | — | |
| SCHEMBL1348552 | 0.65 | KDM4E (0.50) | — | |
| SCHEMBL6191849 | 0.65 | — | — | |
| SCHEMBL4635169 | 0.65 | — | — | |
| SCHEMBL8096908 | 0.65 | MAPT (0.43) | — | |
| SCHEMBL9698504 | 0.64 | GOT1 (0.31) | — | |
| SCHEMBL1520375 | 0.62 | RAB9A (0.43) | — | |
| SCHEMBL1238312 | 0.61 | CYP2A6 (0.31) | — | |
| SCHEMBL11456086 | 0.61 | ESR1 (0.43) | — | |
| Ammonia Solution, Strong SCHEMBL27708939 | 0.61 | RAB9A (0.42) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-0809632-A1 | SUBSTITUTED HETEROCYCLIC COMPOUNDS AND THEIR USE AS FUNGICIDES | BAYER AG (DE) | 1997-12-03 | — | — | EP | disclosed |
| WO-1996025398-A1 | SUBSTITUTED HETEROCYCLIC COMPOUNDS AND THEIR USE AS FUNGICIDES | BAYER AKTIENGESELLSCHAFT (DE) | 1996-08-22 | — | — | WO | disclosed |