⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL14791027 | 0.91 | LMNA (0.37) | — | |
| SCHEMBL102987 | 0.89 | LMNA (0.36) | — | |
| SCHEMBL103978 | 0.75 | — | — | |
| SCHEMBL104264 | 0.73 | HTT (0.31) | — | |
| SCHEMBL103496 | 0.73 | CHRM4 (0.30) | — | |
| SCHEMBL3711997 | 0.72 | ALDH1A1 (0.35) | — | |
| SCHEMBL3711995 | 0.72 | ALDH1A1 (0.35) | — | |
| SCHEMBL103090 | 0.70 | TSHR (0.33) | — | |
| SCHEMBL8396800 | 0.67 | SPHK1 (0.36) | — | |
| SCHEMBL9918702 | 0.67 | ALOX5 (0.38) | — |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8728442-B2 | Method of controlling the growth of microorganisms by a composition containing isolated or in vitro synthesized nitrosoamides | BAYER CROPSCIENCE LP (US) | 2014-05-20 | — | — | US | disclosed |
| US-8728442-B2 | Method of controlling the growth of microorganisms by a composition containing isolated or in vitro synthesized nitrosoamides | BAYER CROPSCIENCE LP (US) | 2014-05-20 | — | — | US | disclosed |
| US-20120058058-A1 | COMPOUNDS DERIVED FROM MUSCODOR FUNGI | AGRAQUEST, INC. (US) | 2012-03-08 | — | — | US | disclosed |
| US-20120058058-A1 | COMPOUNDS DERIVED FROM MUSCODOR FUNGI | AGRAQUEST, INC. (US) | 2012-03-08 | — | — | US | disclosed |
| WO-2010132509-A2 | COMPOUNDS DERIVED FROM MUSCODOR FUNGI | AGRAQUEST, INC. (US) | 2010-11-18 | — | — | WO | disclosed |