⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL11029679 | 0.74 | — | — | |
| SCHEMBL11588971 | 0.73 | — | — | |
| SCHEMBL10964408 | 0.72 | KCNH2 (0.35) | — | |
| SCHEMBL2349238 | 0.67 | — | — | |
| SCHEMBL15904483 | 0.67 | — | — | |
| SCHEMBL3979258 | 0.67 | — | — | |
| SCHEMBL7435776 | 0.67 | — | — | |
| SCHEMBL4924290 | 0.59 | — | — | |
| SCHEMBL8792360 | 0.59 | LMNA (0.37) | — | |
| SCHEMBL5108998 | 0.55 | — | — |
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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0553628-B1 | Flowable microbicidal agents | BAYER AG (DE) | 1998-06-10 | — | — | EP | disclosed |
| EP-0699030-B1 | MICROBICIDES | BAYER AG (DE) | 1997-07-23 | — | — | EP | disclosed |
| EP-0699030-A1 | MICROBICIDES | BAYER AG (DE) | 1996-03-06 | — | — | EP | disclosed |
| US-5374378-A | Flowable microbicidal agents | BAYER AKTIENGESELLSCHAFT (DE) | 1994-12-20 | — | — | US | disclosed |
| WO-1994026111-A1 | MICROBICIDES | BAYER AKTIENGESELLSCHAFT (DE) | 1994-11-24 | — | — | WO | disclosed |
| US-5332765-A | Iodopropargyl N-butylcarbamate, benzyl alcohol mono(-poly) hemiformal | BAYER AKTIENGESELLSCHAFT (DE) | 1994-07-26 | — | — | US | disclosed |
| EP-0553628-A1 | Flowable microbicidal agents | BAYER AG (DE) | 1993-08-04 | — | — | EP | disclosed |
| EP-0547480-A1 | Microbicidal agents | BAYER AG (DE) | 1993-06-23 | — | — | EP | disclosed |