⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL21467448 | 0.97 | SOAT1 (0.40) | — | |
| SCHEMBL143002 | 0.97 | SOAT1 (0.40) | — | |
| SCHEMBL137474 | 0.97 | SOAT1 (0.40) | — | |
| SCHEMBL138507 | 0.92 | — | — | |
| SCHEMBL137728 | 0.82 | — | — | |
| SCHEMBL125606 | 0.78 | KMT2A (0.48) | — | |
| SCHEMBL1751308 | 0.78 | — | — | |
| Octadecanoic Acid Amide SCHEMBL15360442 | 0.77 | SOAT1 (0.57) | — | |
| SCHEMBL24375399 | 0.76 | TSHR (0.63) | — | |
| SCHEMBL15325097 | 0.76 | TSHR (0.63) | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2018041985-A1 | CHEMOSELECTIVE THIOL-CONJUGATION WITH ALKENE OR ALKYNE-PHOSPHONAMIDATES | FORSCHUNGSVERBUND BERLIN E.V. (DE) | 2018-03-08 | — | — | WO | 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 |