⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6442203 | 0.89 | NPC1 (0.31) | — | |
| SCHEMBL6441213 | 0.86 | ALDH1A1 (0.32) | — | |
| SCHEMBL8492357 | 0.77 | HPGD (0.47) | — | |
| SCHEMBL6183370 | 0.76 | — | — | |
| SCHEMBL6183845 | 0.76 | EDNRA (0.35) | — | |
| SCHEMBL6182679 | 0.76 | SYK (0.30) | — | |
| SCHEMBL8492842 | 0.74 | ALDH1A1 (0.40) | — | |
| SCHEMBL7584203 | 0.73 | ALDH1A1 (0.34) | — | |
| SCHEMBL9195406 | 0.73 | HPGD (0.37) | — | |
| SCHEMBL8492580 | 0.73 | RAB9A (0.35) | — |
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-1066237-B1 | PROCESSES FOR PREPARING INTERMEDIATES | BAYER CROPSCIENCE SA (FR) | 2005-07-20 | — | — | EP | disclosed |
| US-6642418-B1 | 1,3-dione compounds from beta keto esters | AVENTIS CROPSCIENCE SA (FR) | 2003-11-04 | — | — | US | disclosed |