⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL103679 | 0.79 | — | — | |
| SCHEMBL103352 | 0.75 | ALDH1A1 (0.60) | — | |
| SCHEMBL103740 | 0.74 | — | — | |
| SCHEMBL103476 | 0.74 | ALDH1A1 (0.52) | — | |
| SCHEMBL103104 | 0.72 | ALDH1A1 (0.50) | — | |
| SCHEMBL103479 | 0.72 | — | — | |
| SCHEMBL102165 | 0.72 | — | — | |
| SCHEMBL27398084 | 0.72 | ALDH1A1 (0.35) | — | |
| SCHEMBL103895 | 0.72 | — | — | |
| SCHEMBL103520 | 0.72 | ALDH1A1 (0.40) | — |
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 6 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-20130137694-A1 | NOVEL MODULATORS OF NRF2 AND USES THEREOF | TRT PHARMA INC. (CA) | 2013-05-30 | — | — | 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 |