⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9410107 | 0.89 | NPC1 (0.31) | — | |
| SCHEMBL2450304 | 0.84 | SLC6A4 (0.33) | — | |
| SCHEMBL2525634 | 0.77 | ACACB (0.37) | — | |
| SCHEMBL2946361 | 0.76 | CHRM2 (0.36) | — | |
| SCHEMBL3897618 | 0.75 | — | — | |
| SCHEMBL2448900 | 0.75 | — | — | |
| SCHEMBL7612862 | 0.74 | CA12 (0.34) | — | |
| SCHEMBL2446968 | 0.73 | — | — | |
| SCHEMBL13963578 | 0.73 | ACACB (0.35) | — | |
| SCHEMBL1344157 | 0.73 | ACACB (0.39) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-8410289-B2 | Spirocyclic 3'-alkoxytetramic acids and-tetronic acids | BAYER CROPSCIENCE AG (DE) | 2013-04-02 | — | — | US | disclosed |
| US-20090029858-A1 | Spirocyclic 3'-Alkoxytetramic Acids and -Tetronic Acids | BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) | 2009-01-29 | — | — | US | disclosed |